data_2k7o_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 2k7o _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' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.71 -30.41 70.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.861 -1.15 . . . . 0.0 109.518 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 7.9 mp -70.7 -32.18 69.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.181 -0.95 . . . . 0.0 109.509 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.078 -1.014 . . . . 0.0 108.683 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.58 -40.19 84.84 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 109.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.34 82.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 109.786 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.523 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 23.6 tpp -64.81 -52.52 56.37 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.12 0.962 . . . . 0.0 108.582 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.74 -40.0 81.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.649 -0.657 . . . . 0.0 109.815 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.35 93.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.032 -1.042 . . . . 0.0 109.498 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.57 -49.42 77.61 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.205 -0.934 . . . . 0.0 111.502 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.4 HG23 HD12 ' A' ' 11' ' ' ILE . 96.2 mt -59.86 -49.3 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.77 -40.99 85.56 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.47 -41.35 78.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 110.031 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.07 -58.49 5.93 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.924 -1.11 . . . . 0.0 111.092 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.5 -40.53 87.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 111.02 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -68.32 -39.84 81.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.347 -1.471 . . . . 0.0 108.02 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.495 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 64.6 t80 -73.21 -41.04 64.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.566 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -69.48 -18.69 63.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.36 22.99 20.8 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -80.29 -47.16 14.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.757 -1.437 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -150.86 147.25 27.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 -169.8 50.91 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -73.45 147.95 43.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.499 -1.0 . . . . 0.0 109.261 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 96.7 mttt -70.1 140.02 52.63 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.595 -0.691 . . . . 0.0 110.045 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.0 t60 78.33 39.13 0.15 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.713 . . . . 0.0 109.359 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.87 109.51 3.43 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -97.22 116.36 29.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.639 -1.288 . . . . 0.0 109.787 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -87.17 160.95 18.32 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -57.54 -41.09 80.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.907 -1.121 . . . . 0.0 109.387 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -64.19 -39.66 94.44 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 108.688 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -69.73 -37.22 76.43 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.426 1.108 . . . . 0.0 108.687 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.82 -41.51 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.56 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 50.9 tp10 -64.21 -44.35 92.19 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.046 -1.034 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.0 tt -59.9 -48.77 80.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.407 -0.808 . . . . 0.0 110.522 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.0 mt -60.58 -46.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.247 -0.908 . . . . 0.0 109.266 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.17 -43.45 98.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.034 -1.041 . . . . 0.0 110.895 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 90.6 m-20 -81.26 -46.83 14.2 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.809 -1.182 . . . . 0.0 111.757 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -88.03 -74.96 0.43 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.784 -1.198 . . . . 0.0 111.279 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 36' ' ' ILE . 61.6 tp -85.32 93.5 8.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.781 -1.2 . . . . 0.0 110.319 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -145.46 -33.5 0.35 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.294 -0.879 . . . . 0.0 109.012 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -68.81 -19.01 64.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.601 -0.687 . . . . 0.0 110.932 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.6 -15.36 13.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.119 -0.988 . . . . 0.0 109.823 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.7 tp -140.0 140.83 36.34 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.281 -0.887 . . . . 0.0 108.629 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -125.08 -109.41 0.32 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.577 -0.702 . . . . 0.0 110.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 47.29 -142.35 0.43 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.327 -0.858 . . . . 0.0 109.885 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 47' ' ' ILE . 87.7 mt 49.87 70.0 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.16 -0.963 . . . . 0.0 110.397 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -107.44 -12.32 15.33 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.152 -0.968 . . . . 0.0 109.661 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 88.3 tt0 -136.1 150.69 49.22 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.228 -0.92 . . . . 0.0 109.595 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.97 . . . . 0.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 76.9 mm-40 -57.05 -32.64 66.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.848 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.4 -35.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.738 -1.226 . . . . 0.0 107.73 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.88 -40.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.04 -40.87 90.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.421 -0.799 . . . . 0.0 109.863 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -67.03 -50.99 60.31 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 118.884 -1.127 . . . . 0.0 108.725 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -63.31 -43.34 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.657 -0.652 . . . . 0.0 110.429 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.61 -49.45 76.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.181 -0.949 . . . . 0.0 109.608 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -40.69 92.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.052 -1.03 . . . . 0.0 109.129 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.2 m -66.99 -40.07 87.29 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.71 -46.78 88.05 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.718 . . . . 0.0 109.149 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' A' ' 57' ' ' MET . 99.3 m-20 -62.52 100.01 0.17 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 110.533 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.46 -39.91 89.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.481 -0.762 . . . . 0.0 109.573 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -95.7 -1.64 49.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.487 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 23.85 74.71 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 119.148 -1.501 . . . . 0.0 110.279 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 34.4 p-10 -66.32 -8.24 23.93 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.059 -1.26 . . . . 0.0 109.61 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -22.18 11.7 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -121.31 175.88 5.92 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.355 -1.085 . . . . 0.0 108.407 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.9 t -113.39 103.47 11.33 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-O 121.93 0.871 . . . . 0.0 109.065 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.25 169.03 12.93 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.136 0.969 . . . . 0.0 110.863 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.567 0.699 . . . . 0.0 109.192 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.4 HE22 HG23 ' B' ' 82' ' ' THR . 91.6 mm-40 -59.94 -56.87 16.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 108.947 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.6 mt-10 -59.9 -40.99 90.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.004 . . . . 0.0 108.545 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -48.76 -40.84 30.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -65.53 -34.12 77.51 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.189 -0.944 . . . . 0.0 108.994 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.78 -55.03 34.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.8 -39.23 71.02 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.71 -45.34 97.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 81' ' ' THR . 70.9 m -66.6 -43.52 84.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.346 -0.846 . . . . 0.0 109.192 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.467 ' O ' ' N ' ' A' ' 83' ' ' ALA . 55.6 ttm -50.81 -40.53 55.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.07 . . . . 0.0 108.885 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.64 -26.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 78' ' ' SER . 4.6 m -82.59 -50.92 8.26 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.439 0.637 . . . . 0.0 109.364 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.6 p -72.46 -19.55 61.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.458 -0.777 . . . . 0.0 110.266 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -74.79 -47.48 30.6 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.905 -1.122 . . . . 0.0 109.444 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.3 -1.546 0 O-C-N 121.697 -0.627 . . . . 0.0 109.349 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.89 -30.65 70.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.663 -1.273 . . . . 0.0 109.59 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' B' ' 3' ' ' LEU . 8.1 mp -70.44 -32.23 69.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.146 -0.971 . . . . 0.0 109.463 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -41.48 92.36 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.403 -0.919 . . . . 0.0 108.677 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -67.34 -39.95 85.82 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.015 -1.053 . . . . 0.0 109.401 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.09 78.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.27 -0.894 . . . . 0.0 109.286 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.475 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 25.7 tpp -63.33 -53.2 56.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.047 0.927 . . . . 0.0 108.711 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.01 -40.35 82.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.741 -0.599 . . . . 0.0 109.779 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.28 92.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.056 -1.028 . . . . 0.0 109.579 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.81 -49.36 77.79 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 111.623 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -60.26 -48.93 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 109.457 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.2 -40.24 85.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.605 -0.684 . . . . 0.0 109.233 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.61 -42.29 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 110.078 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.05 -57.87 7.54 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.893 -1.13 . . . . 0.0 111.511 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -59.95 -40.08 87.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.851 -1.156 . . . . 0.0 110.681 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -68.33 -39.44 81.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.427 -1.42 . . . . 0.0 108.409 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.492 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 59.8 t80 -74.15 -40.79 62.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.489 -0.757 . . . . 0.0 110.428 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 43.5 m -69.7 -17.58 63.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.732 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.88 21.83 28.39 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -79.83 -46.95 15.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.727 -1.455 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -150.95 146.92 26.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.308 -0.87 . . . . 0.0 109.827 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -170.01 50.0 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -73.29 148.35 43.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -1.06 . . . . 0.0 109.238 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 97.0 mttt -70.56 140.04 51.65 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.0 t60 78.47 39.83 0.13 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.533 -0.729 . . . . 0.0 109.131 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -153.37 109.76 3.36 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.55 115.59 28.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.828 -1.17 . . . . 0.0 109.929 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -86.68 160.47 18.85 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.528 ' HZ3' ' CB ' ' B' ' 29' ' ' LYS . 7.1 ttpm? -57.2 -42.51 81.41 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.772 -1.205 . . . . 0.0 109.196 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -62.26 -39.99 94.74 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.111 -0.993 . . . . 0.0 108.591 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 122.294 1.045 . . . . 0.0 109.059 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 tp -63.1 -41.58 99.4 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.2 -42.32 98.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.6 tp10 -63.19 -44.83 94.29 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.345 -0.847 . . . . 0.0 109.817 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.492 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.7 tt -59.93 -48.83 80.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 110.168 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -60.1 -46.43 94.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.313 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -62.11 -42.24 99.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.816 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 88.5 m-20 -82.4 -46.22 13.81 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.828 -1.17 . . . . 0.0 111.647 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -88.58 -75.37 0.43 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.883 -1.136 . . . . 0.0 111.33 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 36' ' ' ILE . 63.2 tp -84.58 92.73 8.2 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.999 -1.063 . . . . 0.0 110.04 -178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.5 p -144.8 -33.88 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.231 -0.918 . . . . 0.0 109.336 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -68.42 -19.7 64.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.629 -0.67 . . . . 0.0 110.972 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -111.5 -15.9 13.42 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.155 -0.965 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 tp -139.88 141.03 36.61 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.189 -0.945 . . . . 0.0 108.584 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -125.28 -109.94 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.568 -0.708 . . . . 0.0 110.071 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 48.14 -141.98 0.52 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.308 -0.87 . . . . 0.0 109.732 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 86.5 mt 50.21 69.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 0.0 110.264 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -107.71 -12.63 15.19 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.283 -0.886 . . . . 0.0 109.687 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.416 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 87.0 tt0 -135.89 150.63 49.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 0.0 109.368 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.28 -39.62 87.52 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.433 -0.792 . . . . 0.0 109.957 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 76.5 mm-40 -57.11 -32.1 65.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.172 -0.955 . . . . 0.0 109.897 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.88 -36.36 75.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.55 -41.65 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.22 -40.08 88.93 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.503 -0.748 . . . . 0.0 110.175 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.99 -51.57 53.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.89 -1.131 . . . . 0.0 108.658 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.73 -42.93 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.486 -0.759 . . . . 0.0 110.732 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.13 -49.41 75.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.98 -1.075 . . . . 0.0 109.826 -178.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.34 -40.91 92.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.814 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -66.29 -39.98 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.97 -47.11 87.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.612 -0.68 . . . . 0.0 109.295 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' B' ' 57' ' ' MET . 98.1 m-20 -62.26 100.03 0.16 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.757 0.789 . . . . 0.0 110.354 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.47 -39.66 88.44 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -96.04 -2.23 47.23 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.435 -0.79 . . . . 0.0 111.366 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.75 23.29 75.65 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.082 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 33.1 p-10 -65.4 -8.85 20.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.096 -1.238 . . . . 0.0 109.524 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.09 -25.43 7.76 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -119.59 172.64 7.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.187 -1.184 . . . . 0.0 108.426 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -108.41 104.92 14.38 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.176 -0.952 . . . . 0.0 109.342 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -70.09 169.53 13.29 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 122.05 0.928 . . . . 0.0 111.142 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.71 -43.57 97.65 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.691 0.758 . . . . 0.0 109.181 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -60.22 -57.04 14.5 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.18 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.5 mt-10 -59.89 -40.62 89.36 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -48.17 -40.19 23.17 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.68 -35.15 79.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.345 -0.847 . . . . 0.0 108.862 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.34 -55.14 37.19 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.08 -40.16 73.18 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.81 -45.1 95.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.532 ' O ' ' N ' ' B' ' 81' ' ' THR . 67.9 m -67.25 -43.95 80.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.334 -0.854 . . . . 0.0 108.937 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.432 ' O ' ' N ' ' B' ' 83' ' ' ALA . 55.5 ttm -50.32 -41.42 51.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.005 -1.06 . . . . 0.0 108.879 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.88 -26.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.532 ' N ' ' O ' ' B' ' 78' ' ' SER . 4.4 m -82.99 -51.56 7.46 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.4 HG23 HE22 ' A' ' 71' ' ' GLN . 30.5 p -71.81 -19.96 61.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.611 -0.68 . . . . 0.0 110.391 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -74.37 -47.68 32.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.927 -1.108 . . . . 0.0 109.36 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 81.6 m . . . . . 0 C--N 1.301 -1.535 0 CA-C-O 121.466 0.65 . . . . 0.0 109.476 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.29 -31.3 72.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.217 -0.927 . . . . 0.0 110.002 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.96 -30.45 67.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.083 -1.01 . . . . 0.0 109.263 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.78 -39.98 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.329 -0.857 . . . . 0.0 109.898 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -64.41 -40.05 95.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.993 . . . . 0.0 109.834 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.93 83.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.414 -0.804 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -60.15 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.222 -0.924 . . . . 0.0 108.942 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.83 -40.08 81.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -42.86 92.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.678 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.91 -50.06 75.23 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.059 -1.025 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.96 -49.93 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 110.219 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.9 -40.13 87.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.272 -0.892 . . . . 0.0 109.43 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -40.74 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.915 . . . . 0.0 109.652 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.76 -55.97 21.76 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.982 -1.074 . . . . 0.0 111.274 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.97 -42.14 93.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.884 -1.135 . . . . 0.0 111.12 -176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.485 ' O ' ' NH1' ' A' ' 20' ' ' ARG . 27.2 mt-30 -70.45 -40.19 73.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.109 -1.619 . . . . 0.0 109.639 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.64 -46.64 65.73 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.768 0.794 . . . . 0.0 109.12 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.0 t -70.93 -14.85 62.52 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.96 14.35 62.16 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.485 ' NH1' ' O ' ' A' ' 16' ' ' GLN . 80.6 mmt-85 -72.73 -40.16 66.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.412 . . . . 0.0 109.039 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.45 1.94 33.1 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.89 3.06 90.58 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -90.08 84.68 6.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.333 -1.098 . . . . 0.0 110.034 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -75.86 161.74 28.73 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 45.26 33.58 1.23 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.615 -1.303 . . . . 0.0 110.828 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -169.68 97.39 0.31 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.68 128.86 44.03 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.82 157.51 19.56 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.505 -0.747 . . . . 0.0 110.246 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.693 ' HZ3' ' NE2' ' A' ' 50' ' ' GLN . 35.8 ttpt -55.2 -46.36 75.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.661 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -60.13 -37.51 80.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.892 -1.13 . . . . 0.0 108.41 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.1 -46.42 90.68 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.93 -41.09 95.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.366 -0.834 . . . . 0.0 109.678 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.95 -44.55 94.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 0.0 109.336 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.0 -46.85 88.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.608 -0.683 . . . . 0.0 110.282 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.15 -49.71 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.037 -1.039 . . . . 0.0 111.155 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.956 -1.09 . . . . 0.0 110.069 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -76.33 -47.44 23.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.847 . . . . 0.0 110.957 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -84.01 -71.62 0.5 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.197 -0.939 . . . . 0.0 112.65 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -91.77 121.05 33.05 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.765 -1.209 . . . . 0.0 111.619 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.3 m -135.47 -48.54 0.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.84 -20.01 53.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.53 -0.731 . . . . 0.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.67 -17.63 17.68 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.323 -0.86 . . . . 0.0 109.91 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.96 135.39 10.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 48.6 tt0 -171.34 -133.69 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 79.8 mm-40 53.77 29.96 10.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 47' ' ' ILE . 96.6 mt -95.61 115.5 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.182 -0.949 . . . . 0.0 108.503 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -89.96 -79.53 0.34 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.225 -0.922 . . . . 0.0 110.576 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.28 166.62 10.47 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.825 0.821 . . . . 0.0 110.717 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.693 ' NE2' ' HZ3' ' A' ' 29' ' ' LYS . 30.0 tt0 -60.01 -37.82 80.84 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.479 0.657 . . . . 0.0 109.275 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 47.9 mp0 -48.03 -30.79 4.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.195 -0.941 . . . . 0.0 109.082 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.62 -36.02 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.063 -1.023 . . . . 0.0 108.493 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.1 t -66.99 -39.97 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -59.92 -39.61 86.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 0.0 109.136 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.96 -48.41 81.81 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.383 -0.823 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.98 -41.48 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.94 -41.37 95.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.311 -0.868 . . . . 0.0 111.078 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.24 -40.93 91.99 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.057 -1.027 . . . . 0.0 109.896 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.23 -38.62 78.61 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.36 -0.837 . . . . 0.0 109.841 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.02 -39.94 75.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.468 -0.77 . . . . 0.0 110.358 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.85 101.76 0.87 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.068 -1.02 . . . . 0.0 110.261 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.62 -39.97 92.08 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.582 -0.699 . . . . 0.0 109.61 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -89.87 -11.17 42.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.189 -0.944 . . . . 0.0 110.623 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.08 29.05 73.22 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -77.67 -0.58 27.24 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.247 -1.149 . . . . 0.0 110.287 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.7 -2.95 71.15 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.63 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -131.51 163.87 27.05 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.374 . . . . 0.0 108.284 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -104.56 103.59 13.29 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.903 -1.123 . . . . 0.0 109.833 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.0 t0 -71.44 176.59 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 110.955 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 58.1 t80 -60.07 -49.95 75.63 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.493 0.663 . . . . 0.0 109.572 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.5 -52.6 64.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.627 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.95 -44.13 94.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -47.96 -43.22 29.21 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 tpt -69.68 -39.67 76.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -14.79 4.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.121 -0.987 . . . . 0.0 111.119 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -92.23 -26.41 18.19 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.87 -41.82 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.351 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' THR . 46.7 t -71.48 -49.46 41.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.944 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 ttm -49.92 -41.32 45.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.088 -1.007 . . . . 0.0 109.55 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.64 -25.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -78.67 -49.75 12.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.8 p -71.07 -15.13 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.694 -0.629 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.23 62.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 0.0 110.1 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 81' ' ' THR . 27.6 p . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.172 -0.955 . . . . 0.0 110.171 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.6 -31.04 72.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.774 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.99 -30.45 67.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 109.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.84 -40.14 94.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.313 -0.867 . . . . 0.0 109.763 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -64.4 -40.04 95.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.974 -1.079 . . . . 0.0 109.847 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -48.07 83.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.202 -0.936 . . . . 0.0 109.44 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.95 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.01 . . . . 0.0 109.024 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.93 -39.94 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.62 93.68 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.819 -1.175 . . . . 0.0 109.567 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.06 -49.85 76.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.927 -1.108 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.09 -49.9 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.007 -1.058 . . . . 0.0 110.223 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.05 -39.99 87.89 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.434 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.67 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.256 -0.902 . . . . 0.0 109.757 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.81 -55.84 22.77 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.095 -1.003 . . . . 0.0 111.24 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -59.95 -42.63 94.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.961 -1.087 . . . . 0.0 111.081 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.47 ' O ' ' NH1' ' B' ' 20' ' ' ARG . 27.2 mt-30 -70.06 -39.97 75.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.191 -1.568 . . . . 0.0 109.909 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -69.89 -46.63 65.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.776 0.798 . . . . 0.0 109.097 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -70.87 -14.98 62.59 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.01 14.55 61.7 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' B' ' 16' ' ' GLN . 80.2 mmt-85 -72.78 -40.06 66.25 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.734 -1.451 . . . . 0.0 109.11 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.6 2.21 33.05 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.691 -0.63 . . . . 0.0 109.327 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 3.34 90.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -90.38 84.74 6.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -1.119 . . . . 0.0 110.039 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -75.82 161.5 28.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 45.15 33.78 1.21 Allowed 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.62 -1.3 . . . . 0.0 110.822 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -169.8 97.52 0.3 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.39 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.88 128.64 44.04 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -86.5 157.54 19.76 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.485 -0.759 . . . . 0.0 110.317 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.525 ' NZ ' ' OD1' ' B' ' 54' ' ' ASP . 35.3 ttpt -55.42 -46.27 76.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -0.906 . . . . 0.0 109.708 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.8 p -60.02 -37.68 80.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.959 -1.088 . . . . 0.0 108.346 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.92 -39.93 75.87 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -61.23 -46.08 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.1 -41.06 95.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.41 -0.806 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.09 -44.6 94.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -0.823 . . . . 0.0 109.212 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.98 -46.91 87.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.51 -0.744 . . . . 0.0 110.294 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.419 HG22 HD11 ' B' ' 36' ' ' ILE . 92.4 mt -60.03 -49.65 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.984 -1.072 . . . . 0.0 111.141 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.12 -39.91 87.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 110.136 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.52 -47.25 23.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 111.016 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.99 -71.31 0.51 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.317 -0.864 . . . . 0.0 112.731 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.8 mt -92.13 121.2 33.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.849 -1.157 . . . . 0.0 111.508 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 52.2 m -135.79 -48.33 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.85 -19.99 53.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.591 -0.693 . . . . 0.0 109.472 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.73 -17.71 17.6 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.238 -0.914 . . . . 0.0 109.808 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.94 135.47 10.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.31 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' B' ' 46' ' ' GLU . 48.6 tt0 -171.25 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' B' ' 45' ' ' GLU . 79.9 mm-40 53.61 29.73 9.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.106 -0.996 . . . . 0.0 109.695 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -95.34 115.46 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.105 -0.997 . . . . 0.0 108.497 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -89.97 -79.47 0.34 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.657 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -102.19 167.16 10.18 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.777 0.798 . . . . 0.0 110.83 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.489 ' NE2' ' HZ1' ' B' ' 29' ' ' LYS . 29.7 tt0 -59.93 -38.32 82.04 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.533 0.682 . . . . 0.0 109.275 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 48.2 mp0 -47.78 -30.9 4.32 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.155 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.65 -35.79 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.054 -1.029 . . . . 0.0 108.605 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.3 t -67.19 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.525 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 90.5 m-20 -59.93 -39.36 85.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.41 -0.806 . . . . 0.0 109.088 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.97 -49.04 79.22 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.44 -41.59 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.257 -0.902 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 ttt -64.7 -41.62 95.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.309 -0.87 . . . . 0.0 111.059 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.05 -41.44 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.115 -0.991 . . . . 0.0 109.852 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.98 -38.48 79.37 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.365 -0.834 . . . . 0.0 109.791 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.03 -40.98 74.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.415 -0.803 . . . . 0.0 110.093 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -66.1 102.64 0.84 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.783 -1.198 . . . . 0.0 110.377 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.97 -40.02 90.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.58 -0.7 . . . . 0.0 109.545 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -89.67 -11.0 43.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.704 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.99 73.33 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.7 -0.57 27.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.271 -1.135 . . . . 0.0 110.333 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 -3.04 70.92 Favored Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.973 -1.108 . . . . 0.0 111.69 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -131.37 163.64 27.43 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.969 -1.312 . . . . 0.0 108.309 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.21 103.54 13.32 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.994 -1.066 . . . . 0.0 109.911 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.2 t0 -71.38 176.48 4.6 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.314 -0.866 . . . . 0.0 111.072 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 57.9 t80 -59.95 -50.04 75.32 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.575 0.702 . . . . 0.0 109.615 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.31 -52.68 64.6 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.615 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.99 -44.53 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.91 -1.119 . . . . 0.0 108.013 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -47.38 -43.29 23.26 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -69.75 -39.65 76.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -14.76 4.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 111.208 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -92.32 -26.7 17.99 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.7 -41.68 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.354 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.431 ' O ' ' N ' ' B' ' 81' ' ' THR . 48.2 t -71.72 -49.47 39.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.105 -0.997 . . . . 0.0 109.937 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttm -49.82 -41.29 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.036 . . . . 0.0 109.539 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.51 -25.91 36.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.434 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 23.2 m -78.89 -49.61 12.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.5 p -71.08 -15.06 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.74 -0.6 . . . . 0.0 109.698 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' B' ' 81' ' ' THR . 27.5 p . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 110.209 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.41 -30.59 71.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.146 -0.971 . . . . 0.0 109.947 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.57 -33.1 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.297 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.91 -40.27 92.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.98 -40.39 96.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.018 -1.051 . . . . 0.0 109.719 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.81 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.058 -1.026 . . . . 0.0 109.289 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.9 ttm -61.57 -50.81 71.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.71 -40.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.951 -1.093 . . . . 0.0 109.242 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.24 -49.76 76.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.052 -1.03 . . . . 0.0 110.71 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -49.97 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.04 -39.73 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.866 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.29 -42.0 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.918 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.06 -55.82 25.15 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.645 -1.284 . . . . 0.0 111.085 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.46 -39.94 85.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.029 . . . . 0.0 111.601 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -68.66 -36.62 78.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.457 -1.402 . . . . 0.0 109.824 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 14.4 m-85 -83.95 -42.89 15.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.369 -0.832 . . . . 0.0 110.916 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.2 t -70.06 -21.78 63.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.639 -1.288 . . . . 0.0 110.052 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.9 21.35 11.66 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -87.11 -53.66 4.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -1.156 . . . . 0.0 109.256 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -147.41 160.52 42.46 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.237 -0.914 . . . . 0.0 109.288 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.59 -158.18 39.0 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.717 ' H ' ' NZ ' ' A' ' 28' ' ' LYS . 19.2 t0 -78.12 166.15 23.12 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.036 -1.273 . . . . 0.0 108.468 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.77 -39.96 90.75 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.362 -0.836 . . . . 0.0 111.387 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -111.77 1.07 16.45 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.699 -1.25 . . . . 0.0 112.995 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 127.22 53.19 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 120.442 -1.411 . . . . 0.0 109.325 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.71 131.45 45.68 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.424 -0.797 . . . . 0.0 109.161 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.717 ' NZ ' ' H ' ' A' ' 23' ' ' ASP . 14.1 mptt -93.95 166.62 12.07 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 50' ' ' GLN . 38.5 tttm -58.89 -49.33 78.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.38 -0.825 . . . . 0.0 110.282 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 m -60.32 -40.13 89.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.726 -1.234 . . . . 0.0 109.71 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.23 -45.01 96.33 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.49 -40.34 90.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 110.206 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.53 -46.45 88.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.105 -0.997 . . . . 0.0 110.55 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.75 -50.08 75.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.911 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 94.1 mt -60.75 -50.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.222 -0.924 . . . . 0.0 109.516 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -61.67 -40.08 93.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 110.681 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -76.59 -56.03 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.179 -0.951 . . . . 0.0 111.214 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 17' ' ' TYR . 95.5 mt-10 -87.18 -75.27 0.41 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.993 -1.067 . . . . 0.0 112.115 -177.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 60.3 tp -82.14 96.12 7.71 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.801 -1.187 . . . . 0.0 110.82 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 36' ' ' ILE . 14.6 m -147.29 -33.56 0.27 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -61.82 -13.2 21.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.589 -0.694 . . . . 0.0 110.435 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.07 -13.08 14.11 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.046 -1.034 . . . . 0.0 109.562 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mp -110.08 -89.84 0.48 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.525 -0.734 . . . . 0.0 109.364 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 62.35 8.7 2.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.555 -0.715 . . . . 0.0 109.151 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.87 -14.36 27.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.5 mt -85.58 117.73 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.984 -1.072 . . . . 0.0 109.582 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -126.57 -27.26 3.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.574 -0.704 . . . . 0.0 109.835 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 58.0 mp0 -110.95 149.1 31.14 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.333 -0.854 . . . . 0.0 110.593 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' NE2' ' NZ ' ' A' ' 29' ' ' LYS . 25.2 mm100 -60.56 -39.75 89.14 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.529 0.681 . . . . 0.0 109.486 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -54.51 -33.39 59.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.55 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.08 -35.09 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.047 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.3 t -70.42 -39.98 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 109.177 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.62 -44.59 93.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.47 -0.768 . . . . 0.0 110.276 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.8 -49.28 75.56 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.039 -1.038 . . . . 0.0 108.728 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.59 -41.58 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.64 -0.663 . . . . 0.0 110.402 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttt -60.23 -47.95 83.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.019 -1.05 . . . . 0.0 110.881 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -46.65 88.7 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.002 -1.061 . . . . 0.0 109.681 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.7 m -60.57 -39.14 86.92 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.463 -0.773 . . . . 0.0 110.305 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.74 -40.19 76.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.359 -0.838 . . . . 0.0 110.844 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -66.89 101.29 0.81 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.001 -1.062 . . . . 0.0 109.909 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.1 -40.63 90.31 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.365 -0.835 . . . . 0.0 109.513 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -96.62 -4.6 40.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.312 -0.868 . . . . 0.0 111.345 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.25 72.26 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 120.594 -1.317 . . . . 0.0 110.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -71.45 -5.67 34.61 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.958 -1.319 . . . . 0.0 111.215 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -19.42 44.96 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.883 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 54.6 mp0 -129.69 170.02 14.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.067 -1.255 . . . . 0.0 109.092 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.84 104.96 14.79 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.297 -0.877 . . . . 0.0 109.894 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -69.85 175.35 4.39 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.807 0.813 . . . . 0.0 110.93 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.46 -49.6 76.92 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.462 0.648 . . . . 0.0 109.435 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 28.3 mp0 -56.75 -54.19 49.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.065 -1.022 . . . . 0.0 108.78 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -42.84 94.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.078 -1.014 . . . . 0.0 108.857 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -48.55 -40.56 27.53 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -67.52 -30.92 70.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 109.186 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.91 -53.24 58.48 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -53.7 -40.02 65.66 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.92 -43.19 98.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.4 t -69.71 -47.5 62.94 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.491 -0.755 . . . . 0.0 110.187 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -52.28 -44.83 65.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.944 -1.097 . . . . 0.0 109.449 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.07 -29.57 46.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.1 m -82.03 -49.39 10.28 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.753 0.787 . . . . 0.0 109.159 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 m -72.07 -18.48 61.93 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.299 0.571 . . . . 0.0 109.798 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -69.83 -39.79 76.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.314 -0.866 . . . . 0.0 109.666 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.259 -0.901 . . . . 0.0 109.694 -179.848 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.66 -31.12 71.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.967 -1.083 . . . . 0.0 109.844 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.01 -32.95 72.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.954 -1.091 . . . . 0.0 109.419 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.56 -40.05 90.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.464 -0.772 . . . . 0.0 109.413 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.5 -40.18 95.17 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.043 -1.036 . . . . 0.0 109.815 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.77 76.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 0.0 109.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.2 ttm -61.85 -50.71 71.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 108.956 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.97 -40.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.992 -1.068 . . . . 0.0 109.233 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.95 -49.59 77.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.972 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.1 -50.02 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.028 -1.045 . . . . 0.0 109.078 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.496 -0.882 . . . . 0.0 108.742 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.06 -42.28 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.759 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.75 -55.9 25.25 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.673 -1.267 . . . . 0.0 111.142 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -59.45 -39.96 85.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 111.556 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.9 -36.47 78.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.578 -1.326 . . . . 0.0 109.807 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.439 ' CE2' ' OE2' ' B' ' 39' ' ' GLU . 14.1 m-85 -84.05 -42.8 15.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.285 -0.885 . . . . 0.0 110.953 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -70.37 -21.37 62.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.362 -1.461 . . . . 0.0 110.023 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.87 21.27 11.76 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -87.44 -52.86 5.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.025 -1.279 . . . . 0.0 109.392 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -148.05 160.06 43.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.313 -0.867 . . . . 0.0 109.047 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.29 -158.52 38.03 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 108.949 -1.661 . . . . 0.0 108.949 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.703 ' H ' ' NZ ' ' B' ' 28' ' ' LYS . 19.9 t0 -78.26 166.75 22.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.978 -1.307 . . . . 0.0 108.218 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.1 -39.67 90.83 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.266 -0.896 . . . . 0.0 111.531 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -112.08 1.03 16.13 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.834 -1.166 . . . . 0.0 112.966 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 126.76 52.69 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.574 -1.329 . . . . 0.0 109.635 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 87.6 mt -99.32 131.26 45.46 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.703 ' NZ ' ' H ' ' B' ' 23' ' ' ASP . 13.9 mptt -93.69 166.67 12.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.617 -0.677 . . . . 0.0 109.474 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' NZ ' ' NE2' ' B' ' 50' ' ' GLN . 38.9 tttm -58.81 -49.5 77.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 110.24 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.1 -40.06 88.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.8 -1.188 . . . . 0.0 109.805 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -70.03 -38.32 75.86 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.983 0.897 . . . . 0.0 108.752 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.67 -45.29 94.69 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -60.5 -40.08 90.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.449 -0.782 . . . . 0.0 110.281 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.18 -46.05 88.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.369 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.07 -50.09 75.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.169 -0.957 . . . . 0.0 109.803 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -60.46 -50.05 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.604 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.401 ' C ' ' HG ' ' B' ' 41' ' ' SER . 42.9 t30 -61.75 -39.94 93.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.146 -0.971 . . . . 0.0 110.797 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -76.66 -56.25 4.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.179 -0.951 . . . . 0.0 111.272 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.439 ' OE2' ' CE2' ' B' ' 17' ' ' TYR . 95.9 mt-10 -86.81 -75.0 0.41 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.879 -1.138 . . . . 0.0 112.135 -177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' B' ' 36' ' ' ILE . 56.3 tp -82.6 96.71 8.17 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.004 -1.06 . . . . 0.0 110.741 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 36' ' ' ILE . 12.1 m -147.96 -33.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -61.77 -13.15 21.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.488 -0.757 . . . . 0.0 110.58 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -111.42 -13.03 13.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.132 -0.98 . . . . 0.0 109.503 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mp -110.01 -89.99 0.48 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.461 -0.774 . . . . 0.0 109.201 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 62.31 8.59 2.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.447 -0.783 . . . . 0.0 109.035 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -93.06 -14.26 27.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -85.15 116.84 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.937 -1.102 . . . . 0.0 109.789 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -125.74 -27.71 3.33 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.646 -0.659 . . . . 0.0 110.144 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.6 mp0 -111.27 149.18 31.41 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.361 -0.837 . . . . 0.0 110.744 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.407 ' NE2' ' NZ ' ' B' ' 29' ' ' LYS . 24.5 mm100 -60.26 -39.77 87.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.702 -0.624 . . . . 0.0 109.745 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -54.91 -32.85 61.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.87 . . . . 0.0 110.344 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.35 -34.64 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.009 -1.057 . . . . 0.0 109.081 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.95 -39.6 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.729 . . . . 0.0 109.183 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.85 -44.56 94.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.293 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -63.21 -49.09 75.58 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 108.598 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.49 -42.02 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.648 -0.657 . . . . 0.0 110.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.9 ttt -60.18 -47.72 84.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.843 -1.161 . . . . 0.0 111.056 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -46.88 87.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.124 -0.985 . . . . 0.0 109.651 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -60.83 -38.54 85.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.549 -0.719 . . . . 0.0 110.353 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.9 -40.42 75.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.882 . . . . 0.0 110.639 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.26 101.93 0.99 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.811 -1.18 . . . . 0.0 109.686 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.06 -40.25 88.83 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.514 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -97.2 -4.71 38.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 111.364 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.31 29.96 71.69 Favored Glycine 0 N--CA 1.493 2.479 0 O-C-N 120.551 -1.343 . . . . 0.0 110.034 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -71.2 -5.87 35.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.964 -1.315 . . . . 0.0 110.967 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.39 -17.0 54.68 Favored Glycine 0 N--CA 1.494 2.526 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.951 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.467 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 53.8 mp0 -130.54 169.55 15.42 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.091 -1.241 . . . . 0.0 108.935 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.81 104.78 14.57 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.367 -0.833 . . . . 0.0 109.857 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.12 175.35 4.59 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.889 0.852 . . . . 0.0 111.087 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.1 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.532 0.682 . . . . 0.0 109.741 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 28.3 mp0 -56.81 -54.26 48.45 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.094 -1.004 . . . . 0.0 108.694 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.56 94.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.999 -1.063 . . . . 0.0 108.823 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.73 -40.67 29.37 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.3 tpt -67.28 -31.55 71.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.146 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.25 59.17 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -53.53 -40.03 65.15 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.35 -43.13 98.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 30.3 t -69.29 -47.64 63.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.411 -0.806 . . . . 0.0 110.267 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.9 ttt -52.72 -44.39 66.32 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.109 -0.995 . . . . 0.0 109.32 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -62.36 -29.58 47.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 52.4 m -82.1 -49.7 9.89 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.68 0.752 . . . . 0.0 109.007 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -71.87 -18.21 62.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.714 -0.616 . . . . 0.0 109.792 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -70.01 -40.0 75.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.426 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.496 1.828 0 O-C-N 121.226 -0.921 . . . . 0.0 109.784 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.23 -36.51 73.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 109.77 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -34.76 72.46 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 109.776 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.64 -44.95 94.99 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -60.76 -39.72 89.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.62 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.88 88.13 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 108.835 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.77 -51.18 68.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.463 -0.773 . . . . 0.0 109.759 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.12 -39.57 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.382 -0.824 . . . . 0.0 109.627 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.86 92.5 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.131 -0.981 . . . . 0.0 109.007 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.19 -47.11 87.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.902 . . . . 0.0 110.04 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.8 -51.32 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.748 -1.22 . . . . 0.0 110.15 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -58.51 -39.73 80.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.6 -39.95 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.393 -0.817 . . . . 0.0 109.247 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -60.94 -57.48 12.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.31 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.97 -43.61 94.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.159 -0.963 . . . . 0.0 112.076 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.66 -40.99 98.22 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.225 -1.547 . . . . 0.0 110.22 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.496 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.6 t80 -69.35 -41.56 76.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 109.382 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -69.9 -17.2 63.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.83 19.42 20.97 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -64.21 -40.1 95.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.763 -1.434 . . . . 0.0 108.126 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 23' ' ' ASP . 86.5 tt0 -119.63 153.29 35.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.9 -19.16 0.06 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLU . 95.3 m-20 -90.96 87.19 6.52 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.85 -1.382 . . . . 0.0 109.709 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.502 ' HZ3' ' CB ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -88.08 149.91 23.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.402 -0.812 . . . . 0.0 109.54 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 17.0 t60 75.69 33.94 0.61 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.724 0.774 . . . . 0.0 109.179 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 tttm -152.54 111.64 3.84 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -98.35 114.52 26.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 29' ' ' LYS . 57.3 tttm -94.81 165.96 12.22 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 28' ' ' LYS . 23.8 pttm -59.75 -40.0 86.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.877 -1.139 . . . . 0.0 109.819 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.7 p -64.42 -39.19 93.37 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.69 -31.92 71.36 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.3 tp -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.466 0.651 . . . . 0.0 109.421 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -62.55 -40.53 97.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.354 -0.841 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.84 -42.01 86.47 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.921 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 52.2 tp -60.14 -48.41 81.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.358 -0.839 . . . . 0.0 109.677 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.73 -46.9 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.038 -1.039 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -61.12 -43.16 99.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.228 -0.92 . . . . 0.0 110.989 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -87.19 -26.14 23.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.992 -1.067 . . . . 0.0 111.276 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -87.96 -75.11 0.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.779 -1.201 . . . . 0.0 110.404 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.9 mt -99.37 121.09 40.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.15 -0.969 . . . . 0.0 110.513 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -124.94 -56.17 1.57 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -72.38 -20.44 61.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.412 -0.805 . . . . 0.0 109.616 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -101.1 0.13 37.27 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.481 -0.762 . . . . 0.0 109.759 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.28 139.93 37.49 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.086 -1.009 . . . . 0.0 109.643 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -75.9 148.36 38.31 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.95 137.65 41.77 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.346 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.9 mt -111.06 120.13 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.459 -0.775 . . . . 0.0 109.219 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -97.08 -21.65 17.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.333 -0.854 . . . . 0.0 110.021 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 53.1 mp0 -100.35 129.82 46.38 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.014 -1.054 . . . . 0.0 110.161 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -69.53 -31.52 69.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.549 -0.72 . . . . 0.0 110.034 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.53 -29.65 68.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.168 -0.958 . . . . 0.0 109.169 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.9 t -70.01 -36.34 68.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.84 -40.69 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.73 -40.29 91.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.755 . . . . 0.0 109.495 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.53 -42.03 95.63 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.5 -40.56 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.417 ' O ' ' N ' ' A' ' 61' ' ' ASP . 94.5 mmm -65.19 -41.47 94.53 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.725 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.46 -46.63 89.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 108.824 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -66.19 -39.8 89.96 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.633 0.73 . . . . 0.0 109.242 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.08 -40.3 65.14 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' MET . 87.6 m-20 -79.11 48.69 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.871 -1.143 . . . . 0.0 110.816 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -38.13 81.77 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 19.9 p-10 -59.98 -32.7 71.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.684 -0.635 . . . . 0.0 109.815 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 96.05 83.64 1.66 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 67' ' ' GLU . 97.9 m-20 -142.32 -29.23 0.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.627 -0.925 . . . . 0.0 110.486 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.4 -9.91 13.03 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 107.891 -2.083 . . . . 0.0 107.891 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 65' ' ' ASP . 99.0 mt-10 -134.05 161.19 35.51 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.5 t -109.14 109.06 19.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.77 -1.206 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -76.82 -177.82 4.54 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.389 1.09 . . . . 0.0 111.357 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.53 -41.27 94.11 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.705 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.91 -57.46 12.76 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -60.53 -39.95 89.73 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.018 . . . . 0.0 109.338 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -47.28 -40.52 16.94 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -69.93 -31.9 69.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.477 -0.764 . . . . 0.0 109.288 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.49 -59.83 4.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.091 -1.005 . . . . 0.0 109.369 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -54.15 -40.12 67.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.24 -45.27 96.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.665 ' HG ' ' N ' ' A' ' 79' ' ' MET . 80.3 p -67.04 -43.91 81.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.262 -0.898 . . . . 0.0 109.937 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.665 ' N ' ' HG ' ' A' ' 78' ' ' SER . 7.7 ttt -53.68 -41.31 66.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.084 -1.01 . . . . 0.0 108.66 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.52 -30.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -80.06 -45.23 18.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.0 m -70.21 -16.15 63.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.641 -0.662 . . . . 0.0 109.958 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.3 69.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.039 -1.038 . . . . 0.0 108.987 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.73 -36.68 72.38 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.086 -1.009 . . . . 0.0 109.711 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -34.07 70.35 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.09 -1.006 . . . . 0.0 109.779 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.21 -45.06 93.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.903 -1.123 . . . . 0.0 110.186 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.53 -40.08 90.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.947 . . . . 0.0 109.595 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.95 91.28 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.365 -0.834 . . . . 0.0 108.99 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.2 mtp -64.03 -50.68 67.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 0.0 109.479 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.94 -40.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 109.321 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.66 91.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.226 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.13 -46.89 88.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.154 -0.967 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.85 -51.23 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 120.801 -1.187 . . . . 0.0 109.794 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -58.31 -40.12 81.2 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.24 -40.08 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.434 -0.791 . . . . 0.0 109.322 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.49 -57.84 11.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.158 -0.964 . . . . 0.0 110.55 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -60.0 -43.27 95.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 111.987 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -64.26 -40.8 96.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.309 -1.494 . . . . 0.0 110.013 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.573 ' HH ' ' N ' ' B' ' 35' ' ' LEU . 68.5 t80 -68.3 -42.27 79.68 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.551 -0.859 . . . . 0.0 109.287 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p -69.81 -17.4 63.4 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.64 -0.663 . . . . 0.0 109.697 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.35 19.75 21.39 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.99 -40.02 95.45 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.763 -1.434 . . . . 0.0 107.973 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 23' ' ' ASP . 86.6 tt0 -118.83 153.35 34.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.71 -19.49 0.11 Allowed Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' B' ' 21' ' ' GLU . 94.3 m-20 -90.03 86.59 6.62 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.797 -1.414 . . . . 0.0 109.949 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.525 ' CB ' ' HZ2' ' B' ' 24' ' ' LYS . 0.4 OUTLIER -87.68 150.41 23.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 109.819 179.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 17.2 t60 75.99 32.83 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.711 0.767 . . . . 0.0 109.137 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -151.16 111.54 4.17 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.5 mm? -98.8 114.99 27.8 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.02 -1.05 . . . . 0.0 109.534 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.442 ' NZ ' ' NZ ' ' B' ' 29' ' ' LYS . 58.7 tttm -95.14 166.09 12.09 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.442 ' NZ ' ' NZ ' ' B' ' 28' ' ' LYS . 24.1 pttm -59.87 -39.93 86.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.923 -1.111 . . . . 0.0 109.826 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -65.16 -38.17 89.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.991 -1.068 . . . . 0.0 108.313 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.99 -31.69 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.7 tp -70.7 -40.32 72.95 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.497 0.665 . . . . 0.0 109.385 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.52 -40.56 97.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 109.157 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.99 -41.96 85.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.279 -0.888 . . . . 0.0 108.84 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.573 ' N ' ' HH ' ' B' ' 17' ' ' TYR . 56.3 tp -59.98 -48.58 81.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.444 -0.785 . . . . 0.0 109.583 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.25 -46.78 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.096 -1.002 . . . . 0.0 110.263 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.82 -43.63 97.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.049 -1.032 . . . . 0.0 110.765 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -86.71 -27.39 23.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.165 -0.959 . . . . 0.0 111.502 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -86.83 -74.8 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.875 -1.141 . . . . 0.0 110.361 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.0 121.62 41.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -125.14 -56.06 1.55 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -72.31 -20.03 61.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.435 -0.791 . . . . 0.0 109.461 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -101.31 0.6 37.49 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.399 -0.813 . . . . 0.0 110.0 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.88 140.42 36.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -76.47 147.88 37.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 108.752 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -73.72 138.35 44.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.189 -0.945 . . . . 0.0 109.208 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -111.81 119.89 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.99 -20.6 17.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 54.3 mp0 -101.07 128.79 46.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.039 -1.038 . . . . 0.0 110.218 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.93 -32.36 71.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.548 -0.72 . . . . 0.0 110.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.71 -29.53 66.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.101 -0.999 . . . . 0.0 109.264 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.7 t -70.02 -36.75 70.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.96 -40.18 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -61.06 -39.98 91.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.845 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.15 -42.62 95.29 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.3 -40.72 84.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.78 -41.11 96.1 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.657 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.77 -46.33 90.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -40.67 63.81 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -79.44 49.7 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.794 -1.191 . . . . 0.0 110.744 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.96 -38.35 82.22 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 20.3 p-10 -60.0 -33.03 71.42 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.377 0.608 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.454 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 96.76 83.79 1.69 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.535 ' C ' ' H ' ' B' ' 67' ' ' GLU . 98.7 m-20 -142.64 -28.88 0.58 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.769 -0.842 . . . . 0.0 110.53 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.65 10.41 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.535 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -133.6 161.6 34.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.0 t -109.33 109.44 20.33 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.746 -1.221 . . . . 0.0 109.38 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -77.14 -177.67 4.64 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 122.304 1.049 . . . . 0.0 111.444 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.49 -41.79 94.97 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.636 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.83 -57.42 12.98 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.9 mt-10 -60.38 -40.02 89.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.988 -1.07 . . . . 0.0 109.355 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -46.99 -40.77 15.13 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.0 -31.81 69.68 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.47 -0.769 . . . . 0.0 109.252 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -63.71 -59.78 4.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.965 -1.084 . . . . 0.0 109.496 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.87 -39.92 66.12 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.84 -44.62 98.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.407 ' O ' ' N ' ' B' ' 81' ' ' THR . 83.1 p -67.52 -43.79 79.95 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.354 -0.841 . . . . 0.0 109.797 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.8 ttt -52.87 -42.39 65.2 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 108.852 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.24 -30.14 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 78' ' ' SER . 20.4 m -80.23 -44.55 19.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.0 m -70.54 -15.9 62.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.616 -0.677 . . . . 0.0 109.793 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.45 68.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.088 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.483 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.307 0.575 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.29 -32.67 74.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.91 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.94 -36.26 75.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.265 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.91 -40.4 97.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.95 -38.51 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.825 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.968 . . . . 0.0 109.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.8 mtp -66.18 -48.65 70.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.86 -37.44 71.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.646 -0.659 . . . . 0.0 109.323 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 90.98 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.97 -1.081 . . . . 0.0 109.284 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.12 -46.38 89.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.155 -0.966 . . . . 0.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.01 -49.81 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.902 -1.124 . . . . 0.0 109.344 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.8 -40.04 86.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.93 -40.35 78.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.821 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.29 -56.59 15.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.596 -1.315 . . . . 0.0 111.025 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.132 -0.98 . . . . 0.0 111.57 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -67.54 -39.98 85.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.19 -1.569 . . . . 0.0 109.69 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -76.42 -44.21 36.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.172 -0.955 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -73.22 -20.09 60.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.584 -1.322 . . . . 0.0 109.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.81 19.02 23.06 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.7 -44.74 18.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.925 -1.338 . . . . 0.0 109.04 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 15.5 tm-20 -169.33 152.78 5.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.162 -0.961 . . . . 0.0 109.302 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 86.72 90.33 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 48.85 -140.29 0.71 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -1.131 . . . . 0.0 108.976 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -131.17 -39.0 1.2 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.254 -0.904 . . . . 0.0 110.266 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -113.54 12.51 18.6 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.298 -0.876 . . . . 0.0 110.944 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -105.84 121.44 44.07 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 108.942 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.26 124.57 42.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.294 -0.879 . . . . 0.0 109.852 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -90.66 162.58 14.88 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -55.96 -39.01 71.14 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -60.1 -36.47 77.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.095 -1.003 . . . . 0.0 109.202 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.71 -31.24 71.05 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.418 -0.801 . . . . 0.0 109.189 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.03 -39.59 75.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.483 -0.761 . . . . 0.0 109.63 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.61 -43.99 97.43 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.317 -0.864 . . . . 0.0 110.532 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.04 -44.48 69.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.985 -1.072 . . . . 0.0 109.943 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.03 -49.68 76.71 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.42 -0.8 . . . . 0.0 108.966 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 40' ' ' LEU . 83.2 mt -60.04 -48.92 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.588 -0.695 . . . . 0.0 110.357 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -60.63 -40.02 90.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 110.595 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.29 -42.39 45.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.089 -1.007 . . . . 0.0 110.27 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -88.45 -75.15 0.43 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.367 -0.833 . . . . 0.0 110.994 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 mt -92.43 102.72 15.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.071 -1.018 . . . . 0.0 110.333 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p -140.48 -49.57 0.45 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -83.36 0.88 44.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.43 -16.19 11.98 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.1 tp -133.59 154.99 50.45 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.09 140.55 56.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.282 -0.887 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.18 148.8 51.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 109.83 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.4 HG23 HD12 ' A' ' 47' ' ' ILE . 31.3 mm -72.04 128.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 108.941 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -94.64 -72.23 0.63 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.262 -0.899 . . . . 0.0 110.332 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -109.99 152.59 25.7 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.403 -0.811 . . . . 0.0 110.205 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.0 tt0 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.398 -0.814 . . . . 0.0 109.054 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.25 -36.54 9.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.17 -0.956 . . . . 0.0 109.597 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.56 -34.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' GLN . 62.5 t -70.83 -41.61 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.613 -0.68 . . . . 0.0 109.534 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.08 -40.24 88.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.269 -0.894 . . . . 0.0 109.539 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.27 -49.4 77.22 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.27 -40.93 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.04 -45.37 92.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.274 -0.891 . . . . 0.0 108.887 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.13 -49.28 78.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.408 -0.807 . . . . 0.0 109.137 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -68.94 -39.99 79.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.537 -0.727 . . . . 0.0 109.52 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.8 -40.03 76.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.333 -0.854 . . . . 0.0 109.552 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 49.2 t0 -66.43 102.48 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.185 -0.947 . . . . 0.0 109.599 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.92 -40.86 98.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.378 -0.826 . . . . 0.0 110.641 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 17.3 p-10 -98.19 -2.74 39.1 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.145 -0.972 . . . . 0.0 110.891 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 27.88 73.29 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.684 -1.246 . . . . 0.0 110.101 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 35.6 p-10 -73.38 -5.41 39.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.128 -1.219 . . . . 0.0 110.362 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.8 76.75 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 68' ' ' CYS . 15.7 tm-20 -157.48 158.36 35.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 67' ' ' GLU . 79.2 m -113.95 104.47 12.19 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.928 -1.107 . . . . 0.0 109.397 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 12.9 t70 -71.78 175.64 5.57 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 122.224 1.011 . . . . 0.0 111.324 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.465 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.5 t80 -60.97 -45.64 93.97 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.684 0.754 . . . . 0.0 109.129 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.54 HE22 ' CG2' ' B' ' 82' ' ' THR . 90.4 mm-40 -59.93 -55.16 37.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 109.098 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.9 mt-10 -59.92 -42.05 93.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.76 -1.212 . . . . 0.0 108.602 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -46.8 -39.04 11.09 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 tpt -67.52 -32.3 73.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.2 -54.99 33.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -52.4 -39.94 61.52 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.63 -41.05 86.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.2 p -71.82 -48.05 48.98 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.532 -0.73 . . . . 0.0 110.307 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -50.79 -39.96 54.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.139 -0.976 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.85 -27.83 39.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -79.49 -47.33 15.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.623 ' CG2' HE22 ' B' ' 71' ' ' GLN . 40.2 p -69.94 -13.78 62.41 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.404 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.86 -47.17 31.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 108.956 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.533 -0.73 . . . . 0.0 109.339 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.387 0.613 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.7 -32.25 73.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.332 -0.855 . . . . 0.0 109.836 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.03 -36.46 75.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.08 -1.012 . . . . 0.0 110.271 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.72 -40.69 97.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.251 -0.906 . . . . 0.0 109.585 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.72 -38.41 91.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 109.773 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.13 90.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -66.23 -48.49 70.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.406 -0.809 . . . . 0.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -60.08 -37.29 72.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.665 -0.647 . . . . 0.0 109.275 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.95 90.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.983 -1.073 . . . . 0.0 109.304 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.16 -46.49 89.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.202 -0.936 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -59.98 -49.97 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 120.918 -1.114 . . . . 0.0 109.232 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.53 -39.98 85.7 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.89 -40.23 78.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.393 -0.817 . . . . 0.0 109.821 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.54 -56.51 15.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.302 . . . . 0.0 111.005 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.174 -0.954 . . . . 0.0 111.508 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -67.49 -40.0 85.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.189 -1.569 . . . . 0.0 109.747 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.29 -44.21 38.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.327 -0.858 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.6 p -73.41 -19.94 60.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.618 -1.301 . . . . 0.0 109.897 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.59 18.88 22.58 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -80.54 -44.65 18.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.882 -1.364 . . . . 0.0 109.216 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.485 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.5 tm-20 -169.46 152.87 4.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.317 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.485 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 86.56 90.34 0.96 Allowed Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 48.82 -140.09 0.72 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.195 -1.179 . . . . 0.0 109.038 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -131.31 -39.07 1.17 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.123 -0.986 . . . . 0.0 110.256 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -113.62 12.38 18.47 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.335 -0.853 . . . . 0.0 110.956 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -105.81 121.3 43.77 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.039 -1.038 . . . . 0.0 109.004 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.16 124.41 42.71 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.303 -0.873 . . . . 0.0 109.873 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -90.51 162.48 15.02 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -55.78 -39.22 70.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.004 -1.06 . . . . 0.0 109.23 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 97.1 p -60.04 -36.14 76.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.947 -1.096 . . . . 0.0 109.198 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.04 -31.19 70.68 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.327 -0.858 . . . . 0.0 109.112 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.97 -39.52 75.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.505 -0.747 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.9 -43.93 97.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 110.445 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -69.93 -44.53 69.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.065 -1.022 . . . . 0.0 110.005 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.04 -49.51 77.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.344 -0.847 . . . . 0.0 109.092 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.432 ' O ' ' O ' ' B' ' 40' ' ' LEU . 84.9 mt -60.13 -49.02 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.266 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -60.66 -40.07 90.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.111 -0.993 . . . . 0.0 110.568 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -76.2 -42.23 46.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -88.74 -75.17 0.44 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.322 -0.861 . . . . 0.0 110.866 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.6 mt -92.5 102.72 15.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.302 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.5 p -140.5 -49.52 0.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -83.37 0.92 43.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.636 -0.665 . . . . 0.0 109.902 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.46 -16.08 11.97 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -133.63 154.87 50.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 109.289 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -59.98 140.37 56.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.341 -0.849 . . . . 0.0 109.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.02 148.56 51.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.312 -0.867 . . . . 0.0 109.898 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.81 128.0 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.908 . . . . 0.0 109.087 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.76 -72.0 0.64 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.277 -0.889 . . . . 0.0 110.266 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -109.97 152.55 25.73 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.437 -0.789 . . . . 0.0 110.297 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.1 tt0 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.381 -0.824 . . . . 0.0 108.962 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.22 -36.76 9.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 109.569 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.7 t -67.42 -34.34 68.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 108.37 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' GLN . 53.0 t -70.83 -41.59 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.687 -0.633 . . . . 0.0 109.543 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -59.99 -40.33 88.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.666 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.22 -49.55 76.69 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.05 -40.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 tpt -63.08 -45.5 91.83 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.295 -0.878 . . . . 0.0 108.818 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.97 -49.62 76.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.005 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.82 -39.91 79.76 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.602 -0.686 . . . . 0.0 109.54 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.67 -40.43 76.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.543 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 49.3 t0 -66.25 102.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.026 -1.046 . . . . 0.0 109.646 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.77 -40.96 98.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.672 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 17.2 p-10 -98.29 -2.51 39.33 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.045 -1.034 . . . . 0.0 110.911 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 27.73 73.06 Favored Glycine 0 N--CA 1.494 2.529 0 C-N-CA 119.689 -1.243 . . . . 0.0 110.224 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 35.1 p-10 -73.05 -5.65 40.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.157 -1.202 . . . . 0.0 110.244 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.14 24.6 75.34 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 68' ' ' CYS . 15.7 tm-20 -158.07 158.09 34.12 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 67' ' ' GLU . 82.0 m -113.63 104.52 12.32 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.856 -1.153 . . . . 0.0 109.403 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.0 t70 -72.05 175.66 5.75 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.977 0.894 . . . . 0.0 111.319 -178.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 62.3 t80 -60.71 -45.84 92.68 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.698 0.761 . . . . 0.0 109.198 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.623 HE22 ' CG2' ' A' ' 82' ' ' THR . 90.8 mm-40 -59.82 -55.1 38.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.296 -0.877 . . . . 0.0 109.211 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -60.08 -41.96 93.58 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.843 -1.16 . . . . 0.0 108.523 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -46.89 -39.04 11.39 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.3 tpt -67.5 -32.22 72.9 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.34 -54.96 32.94 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -52.2 -39.98 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -41.19 87.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.472 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.3 p -71.79 -47.98 49.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.467 -0.771 . . . . 0.0 110.221 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.5 ttt -50.74 -40.05 53.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 109.069 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.78 -27.75 39.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.472 ' N ' ' O ' ' B' ' 78' ' ' SER . 22.0 m -79.52 -47.55 15.37 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.54 ' CG2' HE22 ' A' ' 71' ' ' GLN . 41.5 p -69.85 -13.68 62.38 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.519 -0.738 . . . . 0.0 109.452 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.62 -47.45 32.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.284 -0.885 . . . . 0.0 108.911 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.616 -0.678 . . . . 0.0 109.416 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -36.73 77.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.979 . . . . 0.0 110.3 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.89 -35.82 77.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.797 -1.189 . . . . 0.0 110.075 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.23 -40.02 92.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.0 -35.39 74.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.599 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.91 75.84 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.279 -0.888 . . . . 0.0 109.63 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.69 -41.34 83.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.034 -1.041 . . . . 0.0 109.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.01 -39.97 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.907 . . . . 0.0 109.484 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.1 85.37 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.116 -0.99 . . . . 0.0 109.668 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -60.04 -46.15 90.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.988 -1.07 . . . . 0.0 109.64 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 11' ' ' ILE . 85.5 mt -60.04 -51.4 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.917 -1.115 . . . . 0.0 109.675 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.5 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 83.2 m-20 -64.94 -41.8 95.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.173 -0.955 . . . . 0.0 109.646 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.94 -43.83 79.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.257 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.31 -54.36 46.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 110.765 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.93 -41.46 91.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.957 . . . . 0.0 112.154 -176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.502 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 1.1 mp0 -69.83 -40.36 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.039 -1.663 . . . . 0.0 109.661 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -72.81 -44.32 61.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.2 -0.938 . . . . 0.0 109.839 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.7 t -71.39 -22.74 61.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.017 -1.052 . . . . 0.0 110.739 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.06 20.32 33.69 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -70.41 -39.56 74.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.978 -1.307 . . . . 0.0 109.327 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.9 tt0 -165.62 160.94 18.0 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.09 175.62 40.83 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 89.0 m-20 -49.94 -99.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.993 . . . . 0.0 109.83 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 87.9 tttt -173.15 127.55 0.45 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.178 -0.952 . . . . 0.0 109.912 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.9 t-80 84.39 0.38 0.91 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 122.038 -0.414 . . . . 0.0 110.157 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -110.1 119.48 39.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.33 -0.856 . . . . 0.0 109.314 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mp -96.27 120.88 37.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.999 -1.063 . . . . 0.0 109.472 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -91.64 162.0 14.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.494 0.664 . . . . 0.0 110.152 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HZ2' ' N ' ' A' ' 54' ' ' ASP . 38.0 tttp -52.21 -47.61 65.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.541 -0.725 . . . . 0.0 109.636 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.186 -0.946 . . . . 0.0 109.791 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.4 mt-10 -69.69 -39.74 76.78 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.922 0.868 . . . . 0.0 108.74 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.97 -48.92 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.366 0.603 . . . . 0.0 109.815 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.29 -40.07 89.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.339 -0.851 . . . . 0.0 110.602 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.0 -45.6 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.02 -49.51 77.39 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.321 -0.862 . . . . 0.0 110.374 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 36' ' ' ILE . 96.7 mt -60.05 -47.12 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 110.206 -178.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -75.06 -23.46 58.07 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.341 -0.85 . . . . 0.0 110.769 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -91.39 -0.46 57.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.849 -1.157 . . . . 0.0 111.615 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.04 -41.74 0.18 Allowed 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.593 -1.317 . . . . 0.0 111.169 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mp -90.18 0.8 57.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.013 -1.055 . . . . 0.0 110.714 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.3 t -60.02 -39.45 85.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.873 -1.142 . . . . 0.0 108.851 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -67.56 -21.61 65.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.406 -0.809 . . . . 0.0 110.317 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -103.19 -18.27 14.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.085 -1.009 . . . . 0.0 109.11 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -138.84 135.16 34.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.394 -0.816 . . . . 0.0 109.64 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.39 86.65 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 54.0 tt0 -171.7 -130.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.355 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.2 mt 39.96 59.83 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 109.272 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -93.96 -5.78 46.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.351 -0.843 . . . . 0.0 110.202 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.04 136.47 54.55 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.352 -0.842 . . . . 0.0 110.049 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.46 -40.05 89.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.476 -0.765 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -53.71 -29.52 39.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 109.783 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.45 -37.49 77.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.205 -0.934 . . . . 0.0 108.922 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.33 -41.25 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.55 ' N ' ' HZ2' ' A' ' 29' ' ' LYS . 61.5 t0 -59.96 -43.58 94.96 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.933 . . . . 0.0 110.372 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.24 -40.78 95.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 108.976 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.88 -40.97 86.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.71 -0.619 . . . . 0.0 109.864 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 35.1 ttm -60.01 -49.52 77.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.03 -42.08 93.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.171 -0.956 . . . . 0.0 110.278 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.342 -0.848 . . . . 0.0 109.93 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.49 -39.95 70.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.51 -0.744 . . . . 0.0 110.596 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.92 102.2 2.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.98 -1.075 . . . . 0.0 110.518 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.11 -40.74 94.92 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.428 -0.795 . . . . 0.0 109.218 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -87.88 -14.04 40.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 110.485 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.95 30.02 70.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -74.27 -2.8 26.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -1.212 . . . . 0.0 110.119 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 5.06 89.62 Favored Glycine 0 N--CA 1.492 2.368 0 C-N-CA 119.803 -1.189 . . . . 0.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -140.1 159.99 40.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.075 -1.25 . . . . 0.0 108.158 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.7 t -102.06 106.46 17.35 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.932 -1.105 . . . . 0.0 109.299 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -73.32 178.95 4.2 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.885 0.85 . . . . 0.0 110.821 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 56.9 t80 -61.2 -49.2 78.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.574 0.702 . . . . 0.0 109.691 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.48 -54.05 50.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.057 -1.027 . . . . 0.0 108.885 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -59.99 -42.94 95.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.936 -1.103 . . . . 0.0 108.708 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -50.18 -39.96 45.43 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -68.66 -32.23 71.92 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -64.24 -57.87 8.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 108.838 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.84 -35.48 10.32 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.96 -41.65 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 75' ' ' ALA . 52.5 p -73.2 -48.65 33.31 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 75' ' ' ALA . 46.6 ttm -43.73 -40.04 4.04 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.5 t -55.67 -84.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.9 p -42.18 -52.77 4.27 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.747 -1.221 . . . . 0.0 113.066 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.4 p -60.03 -31.99 70.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.223 -1.548 . . . . 0.0 110.399 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.45 -35.88 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.118 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 93.1 m . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.611 -0.681 . . . . 0.0 109.58 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.02 -36.76 77.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.128 -0.982 . . . . 0.0 110.48 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.13 -35.56 76.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.775 -1.203 . . . . 0.0 109.909 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.27 -40.02 92.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.092 -1.005 . . . . 0.0 109.08 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.03 -35.07 74.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.719 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.331 -0.856 . . . . 0.0 109.69 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.94 -41.36 82.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.092 -1.005 . . . . 0.0 110.12 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.93 -40.08 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.315 -0.865 . . . . 0.0 109.477 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.17 85.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.071 -1.018 . . . . 0.0 109.607 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.09 -46.09 90.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.966 -1.084 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.421 HG21 HD12 ' B' ' 11' ' ' ILE . 85.7 mt -60.04 -51.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.659 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.513 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 83.2 m-20 -64.99 -41.79 95.1 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 0.0 109.66 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.0 t -70.02 -43.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -60.37 -54.25 47.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 110.724 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.01 -41.23 91.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.113 -0.992 . . . . 0.0 112.239 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.1 mp0 -70.02 -40.19 75.36 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.068 -1.645 . . . . 0.0 109.742 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -72.97 -44.09 61.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 109.833 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.9 t -71.43 -22.92 61.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.22 20.43 33.6 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -70.52 -39.27 74.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.324 . . . . 0.0 109.35 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.46 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 87.9 tt0 -165.58 160.77 17.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 109.389 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 92.95 175.82 41.03 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLY . 88.9 m-20 -50.03 -99.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.466 -1.02 . . . . 0.0 109.824 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 85.8 tttt -173.5 127.65 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.889 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.528 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.9 t-80 84.3 0.49 0.93 Allowed 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 120.979 0.419 . . . . 0.0 110.176 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -110.17 119.27 38.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.331 -0.856 . . . . 0.0 109.314 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mp -96.31 120.73 37.14 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.929 -1.107 . . . . 0.0 109.402 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -91.69 162.24 14.57 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.512 0.672 . . . . 0.0 110.301 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.507 ' NZ ' ' N ' ' B' ' 54' ' ' ASP . 39.2 tttp -52.16 -47.85 65.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 109.513 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.171 -0.956 . . . . 0.0 109.684 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 98.9 mt-10 -69.55 -39.85 77.18 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.932 0.872 . . . . 0.0 108.683 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.99 -48.83 80.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.366 0.603 . . . . 0.0 109.906 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.34 -40.23 89.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.338 -0.851 . . . . 0.0 110.444 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.04 -45.67 92.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.96 -49.52 77.35 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.43 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.02 -47.05 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.855 . . . . 0.0 110.328 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -75.14 -23.61 57.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.177 -0.952 . . . . 0.0 110.733 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -91.21 -0.58 57.72 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.856 -1.153 . . . . 0.0 111.673 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -146.99 -41.82 0.18 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.533 -1.354 . . . . 0.0 111.131 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mp -90.06 0.85 56.91 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.003 -1.061 . . . . 0.0 110.721 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -60.12 -39.41 86.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.839 -1.163 . . . . 0.0 108.846 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.73 -21.44 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -103.24 -18.06 15.06 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.093 -1.005 . . . . 0.0 109.172 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -139.24 135.29 33.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.404 -0.81 . . . . 0.0 109.549 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.27 86.68 2.49 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 47' ' ' ILE . 54.0 tt0 -171.75 -130.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.44 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' B' ' 46' ' ' GLU . 40.1 mt 39.95 59.67 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.575 -0.703 . . . . 0.0 109.305 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -93.95 -5.54 47.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.23 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -120.0 136.35 54.58 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.397 -0.815 . . . . 0.0 109.991 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.45 -39.94 89.34 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.452 -0.78 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -53.74 -29.41 39.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.086 -1.009 . . . . 0.0 109.861 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.52 -37.53 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 108.941 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.5 -40.84 77.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.507 ' N ' ' NZ ' ' B' ' 29' ' ' LYS . 62.3 t0 -60.01 -43.96 94.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.16 -40.93 95.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 108.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.91 -40.74 86.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.662 -0.649 . . . . 0.0 109.896 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.96 -49.67 76.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.85 -1.156 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.96 -42.07 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.16 -0.962 . . . . 0.0 110.296 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.06 -39.95 75.37 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.95 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.19 -41.22 70.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.433 -0.792 . . . . 0.0 110.402 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.49 102.14 1.74 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.766 -1.209 . . . . 0.0 110.654 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.18 -40.65 94.72 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.384 -0.822 . . . . 0.0 109.24 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.91 -14.14 40.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.321 -0.862 . . . . 0.0 110.511 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.05 70.2 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 119.811 -1.185 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 p-10 -74.39 -2.78 26.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.115 -1.227 . . . . 0.0 110.172 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.92 5.03 89.68 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.213 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -140.22 159.96 41.02 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.235 . . . . 0.0 108.26 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.89 106.42 17.38 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.887 -1.133 . . . . 0.0 109.341 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.1 t70 -73.08 179.07 3.97 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.891 0.853 . . . . 0.0 110.892 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.463 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 56.9 t80 -61.55 -48.9 78.89 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.632 0.73 . . . . 0.0 109.656 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.55 -54.1 49.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.035 -1.041 . . . . 0.0 108.886 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.4 mt-10 -60.02 -43.07 95.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.953 -1.092 . . . . 0.0 108.608 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -49.95 -40.05 42.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.3 tpt -68.67 -31.98 71.47 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -64.65 -57.57 8.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.148 -0.97 . . . . 0.0 108.871 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.86 -35.41 10.31 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.99 -41.83 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 75' ' ' ALA . 52.5 p -73.06 -48.67 33.94 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.464 ' N ' ' O ' ' B' ' 75' ' ' ALA . 48.1 ttm -43.77 -40.0 4.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.71 -84.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 75.9 p -42.06 -52.81 4.14 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.719 -1.238 . . . . 0.0 113.007 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 80.6 p -60.14 -32.1 70.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.237 -1.54 . . . . 0.0 110.35 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.93 68.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.108 -0.995 . . . . 0.0 109.108 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.722 . . . . 0.0 109.522 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.646 ' HG ' ' H ' ' A' ' 4' ' ' GLU . 59.6 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.273 0.559 . . . . 0.0 109.536 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.01 -33.59 72.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -32.73 67.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.958 . . . . 0.0 109.311 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.646 ' H ' ' HG ' ' A' ' 1' ' ' SER . 53.4 tp10 -60.96 -46.12 92.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.98 -40.02 96.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.418 -0.801 . . . . 0.0 109.857 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.28 89.97 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.143 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.1 ttm -61.68 -49.47 76.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.94 . . . . 0.0 109.736 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -39.98 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.28 90.7 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.964 -1.085 . . . . 0.0 108.206 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -50.88 72.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.717 . . . . 0.0 110.126 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.07 -49.91 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.925 -1.109 . . . . 0.0 109.489 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -57.4 -40.03 77.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.044 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.371 -0.831 . . . . 0.0 110.331 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -62.14 -58.31 8.26 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.889 -1.132 . . . . 0.0 111.177 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -59.95 -40.79 90.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.827 -1.171 . . . . 0.0 111.942 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.39 -40.02 95.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.295 -1.503 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -72.08 -46.56 56.31 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.543 -0.723 . . . . 0.0 109.736 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.0 p -72.93 -19.57 61.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 110.137 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.41 15.88 55.07 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -78.27 -44.14 26.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.054 -1.263 . . . . 0.0 109.26 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -151.09 130.93 13.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 109.237 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.52 -179.91 36.19 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.68 149.88 38.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -1.124 . . . . 0.0 110.151 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 61.7 mttm -70.06 146.49 50.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 109.514 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER 81.23 21.83 0.35 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.614 0.721 . . . . 0.0 109.332 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -151.06 107.86 3.54 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 10.0 mp -96.51 120.38 36.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.107 -0.996 . . . . 0.0 109.861 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 14.3 ttmm -92.43 166.83 12.36 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.431 -0.793 . . . . 0.0 109.593 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -52.41 -42.76 64.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.808 -1.182 . . . . 0.0 109.325 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -59.97 -39.68 86.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.282 -0.886 . . . . 0.0 108.979 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 28' ' ' LYS . 45.1 mt-10 -68.05 -39.04 83.1 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -45.63 92.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.575 -0.703 . . . . 0.0 109.493 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.945 -1.097 . . . . 0.0 109.468 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.19 -43.51 98.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -48.59 81.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.423 -0.798 . . . . 0.0 109.435 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.9 -40.22 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.917 -1.114 . . . . 0.0 110.24 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -75.36 -20.79 58.8 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.32 -0.862 . . . . 0.0 111.693 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -60.65 -61.71 2.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 111.891 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -145.42 -14.49 0.5 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.62 -1.3 . . . . 0.0 110.443 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.6 mm? -82.12 111.41 18.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.687 -1.258 . . . . 0.0 109.086 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 t -156.05 -35.32 0.09 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -64.93 -37.37 87.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.528 -0.733 . . . . 0.0 109.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -98.98 -2.76 36.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.329 -0.857 . . . . 0.0 109.787 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.66 140.72 47.99 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.389 -0.82 . . . . 0.0 109.31 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -72.72 149.83 43.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.114 -0.991 . . . . 0.0 108.596 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.63 138.59 58.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.111 -0.993 . . . . 0.0 109.63 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.415 HG21 HD11 ' A' ' 47' ' ' ILE . 94.3 mt -107.39 120.11 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.01 10.45 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.344 -0.847 . . . . 0.0 109.685 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -120.9 137.62 54.5 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.506 -0.746 . . . . 0.0 109.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' A' ' 53' ' ' VAL . 7.2 tt0 -61.04 -34.25 74.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.125 -0.984 . . . . 0.0 108.797 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLN . 98.1 mt-10 -45.74 -29.94 1.45 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.37 -0.831 . . . . 0.0 108.852 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.71 -34.33 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.6 t -65.07 -45.1 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.97 91.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -0.853 . . . . 0.0 109.886 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.06 -47.95 83.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.028 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.27 -41.05 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.518 -0.739 . . . . 0.0 109.661 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' ASP . 78.3 mtp -68.44 -39.97 81.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.09 -1.006 . . . . 0.0 109.953 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.14 -50.01 75.4 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.141 -0.975 . . . . 0.0 109.304 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.55 -40.01 77.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.463 -0.773 . . . . 0.0 109.615 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 tp -70.13 -40.01 75.1 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 56.1 t0 -74.7 70.39 1.85 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 110.832 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -70.57 -32.9 70.47 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 6.8 p-10 -60.0 -39.9 87.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.795 -0.566 . . . . 0.0 110.826 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 88.87 89.23 1.18 Allowed Glycine 0 N--CA 1.486 2.021 0 N-CA-C 107.739 -2.144 . . . . 0.0 107.739 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 18.5 p-10 -160.82 -16.59 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.637 -0.919 . . . . 0.0 111.064 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 80.36 0.07 85.84 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 98.6 mt-10 -140.48 166.37 24.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.55 -0.971 . . . . 0.0 108.808 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.6 m -103.82 102.89 12.7 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.982 -1.073 . . . . 0.0 108.915 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -70.55 177.11 3.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.582 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.45 -50.16 74.7 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.494 0.664 . . . . 0.0 110.158 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -60.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 109.218 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 75' ' ' ALA . 86.5 tt0 -60.02 -43.61 95.14 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.464 -1.397 . . . . 0.0 107.818 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.6 -39.97 18.2 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.07 -29.72 71.04 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.149 -0.97 . . . . 0.0 108.734 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.16 -55.32 22.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -56.29 -40.44 74.29 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.13 -45.13 99.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.646 ' HG ' ' N ' ' A' ' 79' ' ' MET . 78.8 p -68.81 -44.26 73.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 110.088 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.646 ' N ' ' HG ' ' A' ' 78' ' ' SER . 59.7 mmm -57.55 -40.02 77.97 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.0 -28.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.5 m -83.97 -45.2 13.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -72.97 -18.05 61.41 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.26 0.553 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -84.42 -47.46 10.64 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.145 -0.972 . . . . 0.0 110.46 -178.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.362 0.601 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.08 -33.52 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 0.0 109.635 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -32.84 67.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.162 -0.961 . . . . 0.0 109.368 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.75 -46.38 90.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.036 -1.04 . . . . 0.0 109.441 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.86 -40.05 96.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 109.833 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.28 89.9 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.111 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.5 ttm -61.84 -49.35 76.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.619 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.456 -0.777 . . . . 0.0 109.352 -178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.27 90.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.891 -1.131 . . . . 0.0 108.26 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -50.85 72.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.447 -0.783 . . . . 0.0 110.212 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.96 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.903 -1.123 . . . . 0.0 109.482 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -57.34 -40.01 77.11 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.488 -0.758 . . . . 0.0 109.038 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.91 -40.08 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 110.262 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.32 -58.13 8.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.861 -1.15 . . . . 0.0 111.228 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -60.03 -40.73 90.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.868 -1.145 . . . . 0.0 112.066 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.47 -40.02 94.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.319 -1.488 . . . . 0.0 109.975 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -71.94 -46.55 57.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.532 -0.73 . . . . 0.0 109.779 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.177 -0.952 . . . . 0.0 110.211 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.54 15.72 55.98 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -78.24 -44.17 26.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.257 . . . . 0.0 109.29 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -151.12 130.93 13.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.253 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.62 -179.85 36.02 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.86 149.74 37.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.306 -1.114 . . . . 0.0 110.101 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.607 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 61.3 mttm -70.0 146.57 50.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.485 -0.759 . . . . 0.0 109.47 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.607 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER 81.4 21.59 0.34 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.561 0.696 . . . . 0.0 109.301 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -150.78 107.56 3.54 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' B' ' 27' ' ' LEU . 10.0 mp -96.41 120.42 36.69 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.138 -0.976 . . . . 0.0 109.884 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 14.3 ttmm -92.47 166.91 12.3 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.563 -0.71 . . . . 0.0 109.58 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -52.6 -42.8 64.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.815 -1.178 . . . . 0.0 109.244 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.01 -39.56 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.881 . . . . 0.0 108.93 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' B' ' 28' ' ' LYS . 45.2 mt-10 -68.01 -39.21 83.21 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -45.84 92.32 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 109.551 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.98 . . . . 0.0 109.492 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.21 -43.3 99.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.347 -0.846 . . . . 0.0 109.357 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.63 -48.51 81.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.425 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.18 -39.96 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 110.262 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -75.32 -20.89 58.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -0.891 . . . . 0.0 111.643 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.63 -61.7 2.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.698 -1.251 . . . . 0.0 111.867 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -145.4 -14.44 0.5 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.75 -1.219 . . . . 0.0 110.474 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 3.4 mm? -82.39 111.8 18.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.845 -1.159 . . . . 0.0 109.058 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -156.29 -35.15 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -65.1 -37.29 87.03 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.598 -0.688 . . . . 0.0 109.257 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -99.11 -2.5 36.84 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.839 . . . . 0.0 109.688 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.0 140.63 48.28 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.371 -0.831 . . . . 0.0 109.339 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.68 149.62 43.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 108.694 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.36 138.7 58.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.116 -0.99 . . . . 0.0 109.658 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.416 HG21 HD12 ' B' ' 47' ' ' ILE . 96.6 mt -107.48 120.19 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.0 10.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.336 -0.853 . . . . 0.0 109.671 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -120.85 137.53 54.52 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.513 -0.742 . . . . 0.0 109.85 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' B' ' 53' ' ' VAL . 7.3 tt0 -61.02 -34.11 74.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.114 -0.991 . . . . 0.0 108.813 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -45.85 -30.05 1.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.36 -0.838 . . . . 0.0 108.863 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.52 -34.55 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.4 t -64.99 -44.71 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.78 . . . . 0.0 109.056 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.0 -41.01 91.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.14 -48.26 82.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.027 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.02 -40.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 109.675 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.476 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.2 mtp -68.37 -40.03 81.57 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.149 -0.969 . . . . 0.0 110.042 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -50.01 75.4 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.238 -0.914 . . . . 0.0 109.226 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.61 -39.98 76.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.47 -0.769 . . . . 0.0 109.531 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.0 tp -70.03 -40.35 75.23 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.503 -0.748 . . . . 0.0 109.005 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 56.1 t0 -74.59 70.39 1.8 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.321 -0.862 . . . . 0.0 110.968 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -70.24 -32.92 70.99 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 6.7 p-10 -59.97 -40.01 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.792 -0.567 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.49 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 89.02 89.24 1.2 Allowed Glycine 0 N--CA 1.486 2.022 0 N-CA-C 107.694 -2.162 . . . . 0.0 107.694 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.461 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 19.2 p-10 -160.85 -16.51 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.641 -0.917 . . . . 0.0 111.082 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 80.39 -0.08 85.6 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.461 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 98.7 mt-10 -140.23 166.38 24.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.643 -0.916 . . . . 0.0 108.859 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.5 m -103.94 103.08 12.88 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.921 -1.112 . . . . 0.0 108.837 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -70.44 177.24 3.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 110.63 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.62 -50.07 74.98 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.419 0.628 . . . . 0.0 110.07 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.95 -51.61 68.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.207 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ALA . 86.5 tt0 -59.93 -43.8 94.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.446 -1.409 . . . . 0.0 107.806 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.49 -39.92 17.16 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.11 -29.89 71.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 108.628 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.03 -55.43 22.34 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.78 -40.92 73.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.85 -45.38 98.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.523 ' HG ' ' H ' ' B' ' 79' ' ' MET . 79.3 p -68.68 -44.32 74.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.572 -0.705 . . . . 0.0 110.104 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.523 ' H ' ' HG ' ' B' ' 78' ' ' SER . 58.8 mmm -57.59 -40.12 78.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.586 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.02 -28.24 44.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -84.36 -44.67 13.54 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -73.54 -17.79 61.16 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.736 -0.603 . . . . 0.0 109.709 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -84.6 -47.26 10.72 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.226 -0.921 . . . . 0.0 109.98 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.259 -0.9 . . . . 0.0 110.549 -178.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -59.93 -30.07 68.81 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.221 -0.924 . . . . 0.0 109.61 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.83 -34.03 73.09 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.093 -1.004 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.4 -45.15 94.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 110.001 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.186 -0.946 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.73 76.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 108.969 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mtp -62.04 -49.97 73.86 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.546 0.689 . . . . 0.0 109.143 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.09 -39.96 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.67 -0.644 . . . . 0.0 110.215 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.16 -39.98 73.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.063 -1.023 . . . . 0.0 109.482 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.52 -46.03 91.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.123 -0.986 . . . . 0.0 110.137 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.05 -51.36 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.936 -1.102 . . . . 0.0 109.68 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -59.9 -41.27 91.27 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 108.701 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.97 -43.52 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.377 -0.827 . . . . 0.0 109.982 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.47 -56.43 16.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.051 -1.031 . . . . 0.0 110.049 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -59.92 -43.59 94.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.939 -1.101 . . . . 0.0 111.398 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.02 -40.24 75.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.227 -1.546 . . . . 0.0 109.41 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.562 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.0 t80 -72.29 -40.39 67.6 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.578 0.704 . . . . 0.0 109.661 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 m -77.22 -19.93 55.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.326 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 19.81 36.11 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 120.964 -1.085 . . . . 0.0 110.434 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -82.67 -45.31 14.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.776 -1.426 . . . . 0.0 109.84 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -127.57 142.15 51.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.551 -0.718 . . . . 0.0 109.68 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.19 -123.83 28.69 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -134.93 157.91 45.65 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.444 -1.033 . . . . 0.0 109.583 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -68.08 168.57 11.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.405 -0.809 . . . . 0.0 109.065 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.0 t60 69.59 32.84 3.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 0.0 109.522 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -167.38 95.75 0.47 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.397 -0.815 . . . . 0.0 109.043 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 3.6 mm? -96.05 119.0 33.76 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.127 -0.983 . . . . 0.0 109.761 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -92.38 166.1 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.566 -0.709 . . . . 0.0 109.29 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.76 -39.86 82.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 109.721 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -64.09 -39.33 93.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.056 -1.028 . . . . 0.0 108.506 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.06 -34.37 73.12 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.803 -0.56 . . . . 0.0 109.742 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.04 -40.56 75.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.302 -0.874 . . . . 0.0 109.442 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.08 -40.06 88.25 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.842 0.83 . . . . 0.0 108.925 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.24 -46.09 90.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.746 -0.596 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.562 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.8 tt -59.98 -47.58 85.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.988 -1.07 . . . . 0.0 109.3 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -48.0 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.097 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -71.58 -20.07 62.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 111.056 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -57.47 -59.84 4.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.901 -1.124 . . . . 0.0 111.564 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' B' ' 1' ' ' SER . 6.1 pt-20 -142.4 -10.21 0.84 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.725 -1.234 . . . . 0.0 111.1 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.81 130.53 35.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.682 -1.261 . . . . 0.0 108.797 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -163.58 -34.8 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.393 -0.817 . . . . 0.0 109.119 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.97 -18.03 62.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.07 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -103.29 -16.99 15.5 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.149 -0.97 . . . . 0.0 109.723 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.6 mm? -104.06 150.9 23.86 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 109.298 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -84.92 -76.5 0.31 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.356 -0.84 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -164.55 106.25 0.86 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.419 HD11 HG22 ' A' ' 47' ' ' ILE . 96.8 mt -99.35 104.21 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.078 -1.014 . . . . 0.0 109.092 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -112.73 -22.73 10.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.608 -0.683 . . . . 0.0 109.895 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -112.01 137.52 49.91 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.454 -0.779 . . . . 0.0 109.993 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -61.88 -30.11 70.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.324 -0.86 . . . . 0.0 109.595 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.36 -31.82 62.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.868 . . . . 0.0 109.585 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.88 -34.99 62.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 108.809 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.29 -42.22 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.633 -0.667 . . . . 0.0 109.458 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.23 88.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 0.0 109.844 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.75 -43.66 97.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 109.067 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.76 -40.07 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.578 -0.701 . . . . 0.0 109.503 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -41.68 95.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.724 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.15 -41.15 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.038 -1.038 . . . . 0.0 109.367 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 m -69.43 -40.48 77.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 110.023 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.03 -42.1 63.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.378 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 28.1 t0 -66.52 97.57 0.44 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 110.563 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -47.61 85.51 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.579 -0.7 . . . . 0.0 109.943 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.1 p-10 -92.45 -3.67 54.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.207 -0.933 . . . . 0.0 111.393 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.18 70.13 Favored Glycine 0 N--CA 1.496 2.684 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.436 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.546 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 33.6 p-10 -71.08 -6.96 43.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.796 -1.414 . . . . 0.0 110.432 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.15 -5.58 79.41 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 120.862 -1.149 . . . . 0.0 110.877 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -137.01 161.32 36.38 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -1.171 . . . . 0.0 108.117 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.75 106.61 17.17 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.87 -1.144 . . . . 0.0 108.916 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.33 174.75 3.76 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.878 0.846 . . . . 0.0 110.864 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.92 -50.83 72.21 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.354 0.597 . . . . 0.0 109.545 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -60.03 -53.55 56.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.41 -0.806 . . . . 0.0 109.2 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -59.97 -48.1 83.1 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -44.83 -39.84 5.66 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mtp -71.13 -22.12 62.11 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.383 -0.823 . . . . 0.0 109.909 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.45 -59.14 5.39 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.66 -1.275 . . . . 0.0 108.677 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -51.51 -39.86 58.47 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.15 -45.79 95.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.477 ' HG ' ' N ' ' A' ' 79' ' ' MET . 60.7 p -66.47 -44.83 81.66 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.311 -0.868 . . . . 0.0 110.207 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.477 ' N ' ' HG ' ' A' ' 78' ' ' SER . 28.1 ttt -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.199 -0.938 . . . . 0.0 109.611 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.41 -33.37 62.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -70.11 -41.2 74.32 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -64.59 -56.03 16.58 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.32 -37.82 2.4 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 0.0 109.654 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.493 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 8.5 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.01 -29.8 68.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.364 -0.835 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.96 -34.0 72.83 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.678 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.41 -45.16 94.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.031 -1.043 . . . . 0.0 110.011 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -59.87 -40.13 87.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.17 -0.956 . . . . 0.0 110.027 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.976 . . . . 0.0 108.869 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 73.8 mtp -62.24 -49.89 73.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.575 -0.703 . . . . 0.0 109.22 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -40.05 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.615 -0.678 . . . . 0.0 110.162 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.09 72.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.941 -1.099 . . . . 0.0 109.488 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.57 -46.04 91.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.069 -1.019 . . . . 0.0 110.187 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.01 -51.16 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.889 -1.132 . . . . 0.0 109.727 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -60.02 -41.36 92.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 108.657 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.09 -43.35 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -63.42 -56.6 14.88 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.987 -1.071 . . . . 0.0 110.096 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -59.84 -43.23 94.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.12 . . . . 0.0 111.406 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.02 -40.36 75.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.307 -1.496 . . . . 0.0 109.531 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.661 ' HH ' ' N ' ' B' ' 35' ' ' LEU . 65.1 t80 -72.68 -40.03 66.59 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.542 0.686 . . . . 0.0 109.721 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.1 m -77.45 -19.67 55.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.441 -0.787 . . . . 0.0 110.333 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.09 19.62 37.68 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -82.62 -45.36 14.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.764 -1.433 . . . . 0.0 109.78 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -127.58 141.95 51.5 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.526 -0.734 . . . . 0.0 109.741 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.41 -123.82 28.27 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -135.28 157.88 45.78 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.482 -1.011 . . . . 0.0 109.479 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -68.02 168.64 11.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.083 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.4 t60 69.72 32.86 3.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.555 -0.716 . . . . 0.0 109.316 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -167.41 95.87 0.47 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 109.183 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' B' ' 27' ' ' LEU . 3.6 mm? -96.35 119.0 34.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -92.36 166.02 12.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.612 -0.68 . . . . 0.0 109.259 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.52 -40.1 81.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.775 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 95.7 p -63.82 -39.58 94.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.056 . . . . 0.0 108.582 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.92 -34.4 73.43 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.218 0.533 . . . . 0.0 109.738 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.96 -40.76 75.21 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.281 -0.887 . . . . 0.0 109.534 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 108.932 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -60.06 -46.12 90.62 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.842 -0.536 . . . . 0.0 109.753 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.661 ' N ' ' HH ' ' B' ' 17' ' ' TYR . 8.5 tt -59.96 -47.6 85.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.089 -1.007 . . . . 0.0 109.414 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -47.92 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.3 -0.875 . . . . 0.0 110.01 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.81 -20.01 61.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -57.71 -59.61 4.95 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.901 -1.125 . . . . 0.0 111.478 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -142.52 -10.19 0.83 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.737 -1.227 . . . . 0.0 111.082 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.71 130.29 35.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.678 -1.264 . . . . 0.0 108.846 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.1 t -163.08 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.519 -0.738 . . . . 0.0 109.187 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.76 -18.08 62.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.51 -0.744 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.28 -17.06 15.48 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.096 -1.002 . . . . 0.0 109.695 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' B' ' 44' ' ' LEU . 3.4 mm? -104.2 150.66 24.18 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.505 -0.747 . . . . 0.0 109.384 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.39 -76.65 0.3 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.326 -0.858 . . . . 0.0 108.869 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -164.7 106.45 0.85 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 109.323 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 96.4 mt -99.49 104.59 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.144 -0.973 . . . . 0.0 109.137 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -113.1 -22.56 10.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.533 -0.729 . . . . 0.0 109.897 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -111.95 137.55 49.79 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.448 -0.782 . . . . 0.0 110.017 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -62.14 -29.99 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 109.602 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.31 -31.87 61.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.371 -0.831 . . . . 0.0 109.525 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.97 -35.04 62.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 108.774 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.4 -41.83 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 109.508 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.06 -40.11 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.81 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -60.67 -43.86 97.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.76 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.581 -0.699 . . . . 0.0 109.565 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.6 -41.61 95.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.147 -0.97 . . . . 0.0 110.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.032 -1.042 . . . . 0.0 109.334 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 74.1 m -69.48 -40.42 77.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.28 -0.887 . . . . 0.0 110.049 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.81 -42.88 63.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -0.88 . . . . 0.0 110.235 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 26.6 t0 -65.76 97.96 0.36 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.901 -1.124 . . . . 0.0 110.705 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.48 -48.18 82.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.577 -0.702 . . . . 0.0 109.91 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.9 p-10 -91.99 -3.96 55.18 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.222 -0.923 . . . . 0.0 111.397 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.72 29.11 69.85 Favored Glycine 0 N--CA 1.497 2.757 0 C-N-CA 119.511 -1.328 . . . . 0.0 110.459 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.2 p-10 -70.98 -7.01 43.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.938 -1.331 . . . . 0.0 110.503 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.08 -5.24 80.64 Favored Glycine 0 N--CA 1.497 2.736 0 O-C-N 120.88 -1.137 . . . . 0.0 110.805 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -137.11 161.01 37.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.258 -1.142 . . . . 0.0 108.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 67.8 m -103.57 106.78 17.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.947 -1.096 . . . . 0.0 108.843 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -68.6 175.05 3.7 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.875 0.845 . . . . 0.0 110.829 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.02 -50.65 72.91 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.351 0.596 . . . . 0.0 109.539 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -53.66 55.17 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.308 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.8 mt-10 -60.03 -48.15 82.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.963 -1.086 . . . . 0.0 108.382 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -44.94 -39.24 5.31 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.5 mtp -71.58 -22.06 61.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.16 -59.7 4.66 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.736 -1.228 . . . . 0.0 108.657 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -51.2 -39.92 57.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.12 -45.79 95.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -66.43 -44.81 81.85 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.98 -42.43 94.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.288 -0.882 . . . . 0.0 109.54 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.59 -33.16 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -69.98 -41.29 74.62 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 8.7 m -64.77 -55.84 17.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.29 -37.91 2.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.639 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.833 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -66.75 -30.5 70.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 110.041 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.09 -37.23 75.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.117 -0.989 . . . . 0.0 110.053 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.1 -41.35 97.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 109.89 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.1 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.813 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.96 71.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 0.0 109.488 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -59.93 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.326 -0.859 . . . . 0.0 109.429 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.03 -40.02 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 109.282 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.132 -0.98 . . . . 0.0 109.849 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.15 -44.19 95.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.137 -0.977 . . . . 0.0 111.16 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 11' ' ' ILE . 96.7 mt -60.09 -49.55 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.806 -1.183 . . . . 0.0 109.204 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.02 -39.9 87.46 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.91 -44.77 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.816 . . . . 0.0 110.141 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -60.33 -55.04 38.43 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.897 -1.127 . . . . 0.0 110.649 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.29 -39.99 84.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 111.178 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.78 -40.15 79.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.282 -1.511 . . . . 0.0 110.046 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -73.9 -44.0 56.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.248 -0.908 . . . . 0.0 110.383 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -69.67 -18.82 63.59 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.906 -1.122 . . . . 0.0 109.67 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.07 22.53 14.39 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -86.44 -60.36 2.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.228 -1.16 . . . . 0.0 109.366 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -139.64 160.89 38.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.398 -0.814 . . . . 0.0 109.738 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.77 170.89 38.82 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 7.1 t70 -49.94 -95.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.268 -1.136 . . . . 0.0 109.448 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.506 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 33.1 ttmt -165.95 123.97 1.5 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 109.767 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.1 t-80 79.32 1.12 2.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.783 -0.573 . . . . 0.0 110.139 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -108.19 125.43 51.62 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -95.62 119.2 33.71 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.887 -1.133 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -94.42 165.1 12.73 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.92 77.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.912 -1.117 . . . . 0.0 110.029 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.7 p -60.07 -39.9 87.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.987 -1.071 . . . . 0.0 108.958 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.28 -39.91 78.09 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.15 -43.93 98.12 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.24 -40.57 94.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.511 -0.743 . . . . 0.0 109.679 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.58 -44.68 81.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.135 -0.978 . . . . 0.0 110.212 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.91 -49.04 79.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 0.0 109.965 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 89.8 mt -60.38 -43.54 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.935 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.064 -1.023 . . . . 0.0 111.312 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.32 -13.54 52.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.969 -1.082 . . . . 0.0 112.637 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -128.09 -89.96 0.52 Allowed 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.92 -1.113 . . . . 0.0 112.253 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 85.9 mt -75.16 129.29 37.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.077 -1.015 . . . . 0.0 111.059 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -150.04 -40.3 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -75.85 -18.6 59.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.25 -11.93 20.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.253 -0.905 . . . . 0.0 109.965 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.8 mm? -107.44 -108.94 0.31 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -176.9 143.58 0.43 Allowed 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -65.36 127.51 32.05 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.778 -1.201 . . . . 0.0 108.018 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 47' ' ' ILE . 85.7 mt -108.47 129.99 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.277 -0.889 . . . . 0.0 109.939 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -106.87 -26.2 11.34 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.633 -0.667 . . . . 0.0 109.521 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -110.59 132.96 53.74 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.444 -0.785 . . . . 0.0 110.397 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.3 tt0 -64.65 -38.89 92.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.791 . . . . 0.0 109.356 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -45.39 -33.18 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.426 -0.797 . . . . 0.0 109.693 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.69 -32.41 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 108.747 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' GLN . 66.7 t -69.95 -42.72 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.623 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.03 -40.21 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.245 -0.909 . . . . 0.0 110.743 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -60.35 -45.3 93.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.031 -1.043 . . . . 0.0 108.624 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.65 -39.89 82.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-O 121.221 0.534 . . . . 0.0 110.145 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mtp -67.48 -39.89 85.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.234 -0.916 . . . . 0.0 110.76 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.53 -43.69 84.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.033 -1.042 . . . . 0.0 108.974 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.0 -39.99 75.54 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.03 75.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.707 -0.62 . . . . 0.0 109.789 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.26 105.73 1.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.198 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 74.4 mm-40 -61.34 -39.96 92.49 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.443 -0.786 . . . . 0.0 109.465 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.83 -9.3 31.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.188 -0.945 . . . . 0.0 111.1 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 29.44 73.24 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.412 -1.375 . . . . 0.0 109.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -70.24 -3.94 19.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.06 -1.259 . . . . 0.0 109.546 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.37 52.37 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.4 mp0 -130.24 164.88 23.58 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.056 -1.261 . . . . 0.0 108.686 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.7 t -100.22 109.0 21.23 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.265 -0.897 . . . . 0.0 109.657 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.5 t0 -70.97 175.41 5.16 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.809 0.814 . . . . 0.0 110.583 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.472 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 44.2 t80 -62.97 -50.22 71.65 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.29 0.567 . . . . 0.0 110.678 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -60.13 -53.84 52.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.8 mt-10 -59.96 -44.17 94.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.809 -1.182 . . . . 0.0 107.84 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -49.19 -39.95 31.39 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.68 -30.05 71.2 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -65.49 -51.53 59.39 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.58 -39.97 62.12 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -42.64 90.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 81' ' ' THR . 42.1 p -70.58 -46.31 63.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.442 -0.786 . . . . 0.0 110.157 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.4 ttt -51.81 -40.06 59.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.097 -1.002 . . . . 0.0 108.994 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.47 -27.63 39.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' SER . 24.2 m -79.96 -49.16 12.26 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.1 p -70.1 -14.32 62.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.533 -0.729 . . . . 0.0 109.368 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -45.42 63.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.335 -0.853 . . . . 0.0 109.341 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 87.3 m . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.0 109.125 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.272 0.558 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.5 -30.12 69.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.112 -0.992 . . . . 0.0 110.025 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.3 tp -70.15 -37.31 75.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.989 . . . . 0.0 110.03 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.0 -41.6 97.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.96 -40.05 87.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.928 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -50.8 72.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.0 109.407 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.07 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.425 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.03 -39.93 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.589 -0.694 . . . . 0.0 109.407 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.02 91.0 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.22 -0.925 . . . . 0.0 109.796 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.04 -44.29 94.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.139 -0.976 . . . . 0.0 111.188 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.409 HD12 HG23 ' B' ' 11' ' ' ILE . 96.6 mt -59.99 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.781 -1.199 . . . . 0.0 109.244 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.78 -39.98 86.71 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.99 -44.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.11 -55.24 36.3 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.863 -1.148 . . . . 0.0 110.659 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.21 -40.08 84.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 111.376 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.7 -39.91 80.28 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.277 -1.514 . . . . 0.0 110.172 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.22 -43.93 55.16 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.255 -0.903 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.9 t -69.63 -18.76 63.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.887 -1.133 . . . . 0.0 109.735 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.19 22.34 15.85 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.29 -60.15 2.08 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -1.208 . . . . 0.0 109.419 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.79 160.78 39.12 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.392 -0.818 . . . . 0.0 109.69 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 93.98 170.76 38.46 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 7.0 t70 -50.0 -95.06 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.183 -1.187 . . . . 0.0 109.408 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.503 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 33.1 ttmt -165.99 123.99 1.49 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.1 t-80 79.31 1.22 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.699 -0.625 . . . . 0.0 110.15 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -108.25 125.11 51.3 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.28 119.06 33.14 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.824 -1.172 . . . . 0.0 110.489 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -94.31 165.2 12.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.749 -0.594 . . . . 0.0 109.402 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.99 77.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.983 -1.073 . . . . 0.0 110.018 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -60.08 -39.69 86.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.074 -1.016 . . . . 0.0 109.06 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.59 -39.88 77.03 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.92 -44.08 97.71 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.21 -40.42 93.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.424 -0.797 . . . . 0.0 109.761 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.63 -44.66 81.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -0.96 . . . . 0.0 110.289 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.99 -49.09 79.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.323 -0.861 . . . . 0.0 109.821 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 89.3 mt -60.05 -43.84 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.141 -0.974 . . . . 0.0 110.09 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.23 -39.99 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.117 -0.989 . . . . 0.0 111.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.14 -13.65 52.33 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.874 -1.141 . . . . 0.0 112.57 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -128.0 -89.99 0.52 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.855 -1.153 . . . . 0.0 112.332 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 85.6 mt -75.24 129.01 36.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.079 -1.013 . . . . 0.0 111.044 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -149.96 -40.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -75.95 -18.45 59.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.487 -0.758 . . . . 0.0 109.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.29 -12.07 20.69 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.291 -0.881 . . . . 0.0 109.969 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' B' ' 44' ' ' LEU . 3.8 mm? -107.33 -108.8 0.31 Allowed 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -177.03 143.4 0.4 Allowed 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.21 127.57 32.25 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.839 -1.163 . . . . 0.0 108.106 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.48 130.03 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.341 -0.849 . . . . 0.0 109.905 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -107.03 -26.1 11.3 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.582 -0.699 . . . . 0.0 109.401 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.79 132.71 53.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.512 -0.743 . . . . 0.0 110.495 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.2 tt0 -64.27 -39.27 93.6 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.692 0.758 . . . . 0.0 109.282 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -45.21 -33.12 2.16 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.656 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -69.81 -32.22 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 69.2 t -70.0 -42.67 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.57 -0.706 . . . . 0.0 109.589 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.1 -40.14 92.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.265 -0.897 . . . . 0.0 110.855 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.38 -45.41 93.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.157 -0.965 . . . . 0.0 108.643 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.49 -39.96 82.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.225 0.536 . . . . 0.0 110.037 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 94.9 mtp -67.52 -40.01 85.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.154 -0.966 . . . . 0.0 110.698 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.37 -43.74 85.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.954 -1.091 . . . . 0.0 109.088 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.22 -39.9 74.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.08 75.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.6 -0.688 . . . . 0.0 109.674 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.1 105.67 1.75 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.121 -0.987 . . . . 0.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 74.4 mm-40 -61.17 -40.02 92.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.423 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.72 -9.51 31.67 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.23 -0.919 . . . . 0.0 111.13 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.32 73.11 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -4.18 19.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.072 -1.252 . . . . 0.0 109.344 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.63 -17.8 50.34 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.482 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 55.2 mp0 -129.79 164.54 23.83 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.023 -1.28 . . . . 0.0 108.639 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 t -99.84 109.11 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.1 t0 -71.01 175.48 5.13 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.835 0.826 . . . . 0.0 110.65 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 43.6 t80 -62.95 -50.16 71.91 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.231 0.539 . . . . 0.0 110.627 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -54.06 50.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.079 -1.013 . . . . 0.0 109.551 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.8 mt-10 -59.99 -44.32 94.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.756 -1.215 . . . . 0.0 107.77 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -49.01 -40.03 29.25 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.57 -30.15 71.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.37 -51.51 59.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.68 -40.03 62.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -42.84 90.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 81' ' ' THR . 41.9 p -70.57 -46.25 63.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.137 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.3 ttt -51.84 -40.0 59.79 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.13 -0.981 . . . . 0.0 108.999 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -27.63 39.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' B' ' 78' ' ' SER . 23.8 m -79.9 -49.43 11.92 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.4 p -70.0 -14.18 62.58 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.566 -0.709 . . . . 0.0 109.393 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.33 -45.7 62.37 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 109.343 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.162 179.789 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.399 0.618 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 56.2 mp0 -59.93 -33.21 71.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.522 -0.736 . . . . 0.0 109.829 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.38 -34.24 75.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.94 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.3 -41.04 96.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.033 -1.042 . . . . 0.0 109.249 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.07 -39.57 86.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 0.0 109.926 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.14 94.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.105 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.4 -48.17 68.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.174 -0.954 . . . . 0.0 109.064 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -40.51 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.597 -0.689 . . . . 0.0 110.642 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.854 -1.154 . . . . 0.0 110.159 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.98 -41.14 91.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.684 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.0 -50.26 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.684 -1.26 . . . . 0.0 109.353 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.56 -39.98 89.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 0.0 109.459 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.67 -49.24 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.445 -0.785 . . . . 0.0 109.571 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.0 -53.25 60.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.246 -0.909 . . . . 0.0 109.393 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -59.99 -40.58 89.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 112.117 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -70.8 -40.2 72.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.002 -1.686 . . . . 0.0 110.471 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -77.51 -48.42 17.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.377 -0.827 . . . . 0.0 110.583 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.6 t -78.33 -19.9 52.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.949 -1.094 . . . . 0.0 110.146 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.36 11.01 72.56 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -83.03 -40.63 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.241 . . . . 0.0 108.658 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -148.12 150.98 34.83 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.14 -169.26 49.65 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.053 -1.07 . . . . 0.0 110.529 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -95.36 141.17 29.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.475 -1.015 . . . . 0.0 110.033 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 30.3 ttmt -62.15 138.75 58.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.538 -0.726 . . . . 0.0 109.94 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 1.6 t-160 79.2 27.66 0.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.608 0.718 . . . . 0.0 109.318 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -153.4 100.6 2.45 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.1 mp -99.82 124.39 45.06 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.346 -0.846 . . . . 0.0 109.928 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -93.03 165.82 12.66 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -58.4 -39.98 81.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.033 -1.042 . . . . 0.0 109.417 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -62.76 -40.42 97.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.891 -1.131 . . . . 0.0 108.799 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.09 -32.9 71.19 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.502 0.668 . . . . 0.0 109.311 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -69.03 -40.09 78.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.482 -0.761 . . . . 0.0 109.307 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.2 -40.03 90.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.427 -0.796 . . . . 0.0 110.73 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.01 -43.67 95.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.008 -1.057 . . . . 0.0 109.95 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.94 -47.75 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.317 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' GLU . 96.7 mt -61.62 -42.36 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.19 -40.41 95.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.872 -1.143 . . . . 0.0 108.855 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.52 -49.9 10.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 36' ' ' ILE . 99.0 mt-10 -112.16 170.24 8.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.665 0.745 . . . . 0.0 110.567 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt 54.71 24.87 5.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.795 -0.566 . . . . 0.0 110.739 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 109.257 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -70.04 -19.63 63.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 110.622 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -98.68 -17.44 18.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.092 -1.005 . . . . 0.0 109.972 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.47 109.77 4.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -122.79 -23.71 5.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.477 -0.764 . . . . 0.0 109.981 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -71.05 -113.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.102 . . . . 0.0 109.798 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mt 47.91 69.63 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.003 -1.061 . . . . 0.0 109.118 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -90.08 -19.87 23.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -119.13 138.84 52.64 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.208 -0.933 . . . . 0.0 110.246 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -62.53 -38.72 91.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.168 -0.958 . . . . 0.0 108.634 178.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -47.91 -33.62 7.87 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.01 -34.35 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 108.766 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLN . 67.1 t -67.19 -47.32 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.423 -0.798 . . . . 0.0 109.467 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.85 -41.43 95.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.23 -0.918 . . . . 0.0 109.839 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.04 -47.51 86.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.293 -0.879 . . . . 0.0 108.926 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.561 -0.712 . . . . 0.0 109.505 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.4 ttm -60.0 -44.13 94.75 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.176 -0.952 . . . . 0.0 109.963 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -42.38 94.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.122 -0.986 . . . . 0.0 109.521 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -65.08 -39.95 93.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.327 -0.858 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.7 -40.05 76.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.58 -0.7 . . . . 0.0 110.283 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.9 114.58 4.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.111 -0.993 . . . . 0.0 110.705 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -59.95 -43.17 95.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.741 -0.599 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.5 p-10 -94.95 -4.98 45.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.052 -1.03 . . . . 0.0 110.646 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.42 33.23 68.03 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 119.764 -1.208 . . . . 0.0 110.279 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -77.36 2.05 17.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.126 -1.22 . . . . 0.0 109.797 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.37 11.4 71.61 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.52 160.06 40.84 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.01 104.84 13.79 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.827 -1.171 . . . . 0.0 109.862 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.49 174.47 4.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.897 0.856 . . . . 0.0 110.723 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.02 -49.9 75.85 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.527 0.679 . . . . 0.0 109.212 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.08 -54.51 45.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.431 -0.793 . . . . 0.0 109.674 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -59.94 -46.13 90.39 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -47.84 -37.99 15.07 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 tpt -66.97 -30.13 70.17 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.56 -53.52 50.46 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.8 -40.15 69.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.29 -45.98 95.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.407 ' HG ' ' H ' ' A' ' 79' ' ' MET . 79.6 p -64.8 -42.49 94.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.364 -0.835 . . . . 0.0 109.929 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.407 ' H ' ' HG ' ' A' ' 78' ' ' SER . 35.4 tpp -55.28 -39.95 70.44 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.215 -0.928 . . . . 0.0 108.713 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.0 -33.33 54.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.21 -0.931 . . . . 0.0 108.558 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.67 -45.89 90.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 0.0 109.299 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.1 p -67.77 -52.23 39.68 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.118 -0.988 . . . . 0.0 108.779 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.63 -40.13 18.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.236 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.317 -0.864 . . . . 0.0 108.924 179.74 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 55.3 mp0 -60.03 -33.06 71.51 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.558 -0.714 . . . . 0.0 109.835 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.56 -34.14 75.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 110.014 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -61.29 -41.13 96.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.05 . . . . 0.0 109.227 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -59.99 -39.44 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.95 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.33 94.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.145 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.2 -48.42 67.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.281 -0.887 . . . . 0.0 109.052 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.57 -40.57 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.534 -0.729 . . . . 0.0 110.699 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.76 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.749 -1.219 . . . . 0.0 110.344 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.06 -41.24 91.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.162 -0.961 . . . . 0.0 110.693 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.97 -50.17 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.705 -1.247 . . . . 0.0 109.358 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.54 -40.13 90.41 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.361 -0.837 . . . . 0.0 109.395 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.62 -49.25 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.422 -0.799 . . . . 0.0 109.479 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.01 -53.29 59.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.276 -0.89 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.98 -40.36 88.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.139 -0.975 . . . . 0.0 112.152 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.01 -40.27 71.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 119.997 -1.69 . . . . 0.0 110.367 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -77.29 -48.49 17.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.813 . . . . 0.0 110.676 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -78.71 -19.57 52.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.911 -1.118 . . . . 0.0 109.99 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.4 10.97 72.75 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -82.95 -40.64 19.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 108.681 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -148.11 151.2 35.22 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -169.41 49.28 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.444 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.68 141.11 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.503 -0.998 . . . . 0.0 109.924 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 31.3 ttmt -62.03 138.68 58.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.483 -0.761 . . . . 0.0 109.869 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 1.6 t-160 79.33 27.53 0.38 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.606 0.717 . . . . 0.0 109.183 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -153.06 100.63 2.5 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mp -99.78 124.26 44.88 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.301 -0.874 . . . . 0.0 110.02 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -92.86 165.51 12.87 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -58.25 -40.03 80.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.084 -1.01 . . . . 0.0 109.347 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 t -62.82 -40.29 96.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.881 -1.137 . . . . 0.0 108.932 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.18 -32.48 70.44 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.468 0.652 . . . . 0.0 109.332 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.33 -40.17 77.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.451 -0.781 . . . . 0.0 109.241 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.22 -39.91 89.92 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.323 -0.861 . . . . 0.0 110.652 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.01 -43.85 94.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.963 -1.086 . . . . 0.0 109.788 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.97 -47.61 85.11 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.188 -0.945 . . . . 0.0 109.18 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.9 mt -61.82 -42.25 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.167 -0.958 . . . . 0.0 109.934 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.42 -40.31 96.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.737 -1.227 . . . . 0.0 108.757 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -80.3 -49.91 10.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.752 -0.592 . . . . 0.0 110.625 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' B' ' 36' ' ' ILE . 99.2 mt-10 -112.28 170.0 8.47 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.591 0.71 . . . . 0.0 110.513 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.4 mt 55.05 24.78 6.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.841 -0.537 . . . . 0.0 110.697 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.8 m -59.96 -39.98 87.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.063 -1.023 . . . . 0.0 109.208 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.01 -19.79 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.483 -0.761 . . . . 0.0 110.744 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.5 -18.08 18.38 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.111 -0.993 . . . . 0.0 109.991 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.77 109.86 4.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.153 -0.967 . . . . 0.0 108.745 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -122.67 -24.09 4.97 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.472 -0.768 . . . . 0.0 110.025 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -70.94 -113.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 109.828 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mt 48.02 69.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.119 -0.988 . . . . 0.0 109.061 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.1 -19.85 23.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.219 -0.925 . . . . 0.0 109.881 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -119.05 139.16 52.2 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.289 -0.882 . . . . 0.0 110.227 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.53 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 0.9 OUTLIER -62.92 -38.57 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.1 -1.0 . . . . 0.0 108.542 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -48.2 -33.33 8.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.07 -34.81 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 50' ' ' GLN . 68.4 t -66.76 -47.2 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -0.806 . . . . 0.0 109.671 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.29 -41.11 96.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.154 -0.967 . . . . 0.0 109.827 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -61.29 -47.28 86.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.192 -0.942 . . . . 0.0 108.994 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.61 -40.13 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.401 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttm -60.0 -44.08 94.77 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.117 -0.989 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -42.55 94.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 109.434 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -64.9 -40.01 94.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 109.904 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.8 -40.05 76.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.277 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.85 114.73 4.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -60.04 -43.1 95.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.852 -0.53 . . . . 0.0 109.928 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -95.03 -4.94 45.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.051 -1.031 . . . . 0.0 110.595 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 33.54 69.4 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.267 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -77.41 1.95 17.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.124 -1.221 . . . . 0.0 109.767 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.74 11.23 73.08 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.81 160.08 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.1 t -109.7 104.88 13.94 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.889 -1.132 . . . . 0.0 109.898 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.6 174.84 4.6 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.877 0.846 . . . . 0.0 110.691 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.612 0.72 . . . . 0.0 109.244 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.97 -54.53 45.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 0.0 109.603 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -60.02 -46.37 89.73 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -47.66 -38.15 14.33 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.93 -30.0 70.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.15 -53.12 54.51 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -54.79 -40.23 69.25 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -46.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 77.9 p -64.56 -42.39 95.7 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.909 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.9 tpp -55.52 -40.02 71.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.108 -0.995 . . . . 0.0 108.684 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.78 -33.23 55.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.83 -46.0 89.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.825 . . . . 0.0 109.022 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.524 ' HG1' ' H ' ' B' ' 83' ' ' ALA . 27.3 p -67.63 -52.33 39.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.104 -0.998 . . . . 0.0 108.758 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.524 ' H ' ' HG1' ' B' ' 82' ' ' THR . . . -47.52 -40.11 17.88 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.258 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.272 -0.892 . . . . 0.0 108.935 179.792 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.66 -34.97 73.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -34.02 75.04 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.975 -1.078 . . . . 0.0 108.83 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.62 -43.16 97.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.2 -0.937 . . . . 0.0 109.556 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.99 -40.15 88.19 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 110.042 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.24 78.39 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.595 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.25 -50.01 75.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.239 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.99 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.504 -0.748 . . . . 0.0 110.253 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.29 91.66 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.769 -1.207 . . . . 0.0 109.642 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.01 -46.41 89.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 110.159 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -53.56 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.941 -1.1 . . . . 0.0 109.762 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.524 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.34 -41.49 93.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.002 . . . . 0.0 109.473 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.95 -43.87 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.283 -0.885 . . . . 0.0 109.941 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.74 -53.68 52.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.987 -1.071 . . . . 0.0 110.304 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 19' ' ' GLY . 86.2 t60 -59.79 -47.69 84.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.91 -1.119 . . . . 0.0 111.634 -177.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -61.02 -40.34 93.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 119.988 -1.695 . . . . 0.0 109.791 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -71.8 -47.03 56.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.082 -1.011 . . . . 0.0 109.235 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -73.53 -19.39 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.077 -1.015 . . . . 0.0 109.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -84.46 17.8 27.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -85.53 -52.39 5.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.969 -1.312 . . . . 0.0 108.746 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.04 159.97 21.07 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.88 -35.49 12.67 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 2.3 p30 -60.28 136.54 58.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.913 -1.346 . . . . 0.0 109.402 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.36 -70.14 0.56 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.088 -1.008 . . . . 0.0 110.441 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -107.68 8.13 28.84 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.287 -0.883 . . . . 0.0 111.329 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -107.49 129.11 54.99 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.015 -1.053 . . . . 0.0 109.539 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -99.79 130.04 45.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.277 -0.889 . . . . 0.0 109.385 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -92.8 164.8 13.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.638 -0.664 . . . . 0.0 109.628 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -50.32 -51.76 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.959 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.6 m -61.41 -39.96 92.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.091 -1.005 . . . . 0.0 109.402 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -69.5 -40.0 77.27 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.14 -48.23 82.56 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.645 -0.66 . . . . 0.0 109.885 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -59.94 -40.06 87.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.404 -0.81 . . . . 0.0 110.086 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.94 -40.98 90.78 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.869 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -44.59 84.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.266 -0.896 . . . . 0.0 109.574 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 39' ' ' GLU . 92.3 mt -70.03 -40.01 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.871 -1.143 . . . . 0.0 109.79 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' OG ' ' A' ' 41' ' ' SER . 98.5 m-20 -62.96 -41.0 99.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.768 -1.207 . . . . 0.0 109.836 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.96 -50.06 10.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.43 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' ILE . 82.2 tt0 -111.65 160.0 17.66 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.549 -0.719 . . . . 0.0 109.855 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 tp 69.93 -12.45 0.48 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.337 -0.852 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 39' ' ' GLU . 53.9 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.977 -1.077 . . . . 0.0 109.471 179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -69.35 -9.95 55.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.508 -0.745 . . . . 0.0 110.915 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -101.16 -19.94 15.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.813 -1.179 . . . . 0.0 109.831 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 pp -163.36 152.41 14.5 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.974 -1.079 . . . . 0.0 110.167 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 54.5 mp0 -133.05 35.64 3.51 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -79.98 -9.72 59.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 110.492 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -78.11 129.23 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.847 -1.158 . . . . 0.0 109.472 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -154.87 -44.01 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 109.662 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -113.15 142.79 45.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.96 -38.98 84.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.315 -0.866 . . . . 0.0 109.567 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.05 -33.26 67.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.576 -0.703 . . . . 0.0 109.78 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -70.07 -36.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.1 -41.36 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.568 -0.707 . . . . 0.0 109.142 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.39 -40.1 93.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.139 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.1 -50.07 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -0.98 . . . . 0.0 108.915 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.29 -40.97 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.526 -0.734 . . . . 0.0 109.408 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.7 ttt -67.39 -40.08 85.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.347 -0.845 . . . . 0.0 110.531 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -47.27 86.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.968 -1.083 . . . . 0.0 108.377 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -63.05 -40.02 96.46 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.2 -48.39 81.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.568 -0.708 . . . . 0.0 109.966 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.95 100.85 0.44 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.34 -0.85 . . . . 0.0 110.587 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -40.72 90.4 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.657 -0.652 . . . . 0.0 109.277 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -88.35 -11.89 44.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.143 -0.973 . . . . 0.0 109.938 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.03 31.38 69.55 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -72.4 -4.47 30.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 111.037 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 -6.62 71.59 Favored Glycine 0 N--CA 1.497 2.705 0 O-C-N 120.675 -1.266 . . . . 0.0 110.519 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -136.68 162.83 32.08 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.261 -1.141 . . . . 0.0 108.278 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -104.07 107.39 18.26 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.87 -1.144 . . . . 0.0 109.991 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.54 176.52 5.36 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.049 0.928 . . . . 0.0 111.397 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -60.05 -49.91 75.78 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.004 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.36 -55.08 39.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.342 -0.848 . . . . 0.0 109.263 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -60.02 -44.25 94.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.859 -1.151 . . . . 0.0 108.37 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -48.76 -40.0 27.13 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.5 tpt -69.48 -30.35 68.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.6 -57.32 11.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.036 -1.04 . . . . 0.0 108.402 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -49.96 -39.68 41.46 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.95 -41.25 91.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 91.9 p -71.63 -49.07 43.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.236 -0.915 . . . . 0.0 109.74 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.412 ' N ' ' HG ' ' A' ' 78' ' ' SER . 98.2 mtp -52.13 -40.95 62.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.557 -178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.69 -28.52 27.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 121.077 -1.015 . . . . 0.0 108.564 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 m -69.87 -43.16 72.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -70.03 -59.01 3.17 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.4 -40.85 8.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.707 -0.621 . . . . 0.0 109.787 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.302 -1.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.27 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' B' ' 4' ' ' GLU . 10.0 p . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.78 -34.54 73.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.108 -0.995 . . . . 0.0 109.548 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -33.97 74.46 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.958 -1.089 . . . . 0.0 108.835 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.453 ' H ' ' HG ' ' B' ' 1' ' ' SER . 86.2 tt0 -60.67 -42.99 98.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.246 -0.908 . . . . 0.0 109.458 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.06 -40.15 88.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.972 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.51 77.35 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.081 -1.012 . . . . 0.0 108.663 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.14 -50.07 75.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.885 . . . . 0.0 109.189 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.48 -0.763 . . . . 0.0 110.191 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.43 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.81 -1.181 . . . . 0.0 109.529 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.96 -46.68 88.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.988 . . . . 0.0 110.077 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.99 -53.69 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.89 -1.131 . . . . 0.0 109.691 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 95.9 m-20 -60.13 -41.66 93.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.128 -0.982 . . . . 0.0 109.522 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 60.7 t -70.0 -43.44 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -62.02 -53.68 52.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.982 -1.074 . . . . 0.0 110.328 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' B' ' 19' ' ' GLY . 86.2 t60 -59.82 -47.6 85.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.866 -1.146 . . . . 0.0 111.526 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.0 OUTLIER -61.24 -40.03 92.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.138 -1.601 . . . . 0.0 109.837 -179.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -71.98 -46.93 55.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.131 -0.98 . . . . 0.0 109.142 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.7 p -73.71 -19.42 60.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.069 -1.02 . . . . 0.0 109.851 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -84.4 17.72 27.7 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -85.43 -52.29 5.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.008 -1.289 . . . . 0.0 108.782 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.05 159.97 21.06 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.95 -35.41 12.93 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' B' ' 23' ' ' ASP . 2.3 p30 -60.43 136.53 58.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.849 -1.383 . . . . 0.0 109.401 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -81.27 -70.06 0.56 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 110.439 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -107.97 8.31 28.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.324 -0.86 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -107.59 129.08 55.02 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.045 -1.034 . . . . 0.0 109.583 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -99.88 129.92 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.319 -0.863 . . . . 0.0 109.313 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -92.93 164.68 13.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.533 -0.729 . . . . 0.0 109.757 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -50.25 -51.71 42.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.374 -0.828 . . . . 0.0 109.971 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.001 -1.062 . . . . 0.0 109.408 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -69.4 -40.0 77.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.65 -47.85 83.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.708 -0.62 . . . . 0.0 109.834 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.322 -0.861 . . . . 0.0 110.045 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.03 -41.04 91.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 108.835 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -44.68 84.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.617 -178.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' B' ' 39' ' ' GLU . 90.8 mt -70.02 -40.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.89 -1.131 . . . . 0.0 109.862 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.415 ' O ' ' OG ' ' B' ' 41' ' ' SER . 98.6 m-20 -63.08 -40.95 99.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.778 -1.201 . . . . 0.0 109.778 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.93 -50.0 11.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.356 -0.84 . . . . 0.0 109.622 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.473 ' O ' ' O ' ' B' ' 36' ' ' ILE . 80.9 tt0 -111.77 159.94 17.79 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.494 -0.754 . . . . 0.0 109.71 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp 70.0 -12.52 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.424 -0.797 . . . . 0.0 110.562 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.452 ' H ' ' C ' ' B' ' 39' ' ' GLU . 54.3 m -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.951 -1.093 . . . . 0.0 109.426 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -69.22 -9.88 55.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.49 -0.756 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -101.19 -20.0 15.48 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.946 -1.096 . . . . 0.0 109.767 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 pp -163.44 152.55 14.48 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.804 -1.185 . . . . 0.0 110.223 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 54.4 mp0 -133.17 35.72 3.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -79.98 -9.71 59.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.513 -0.742 . . . . 0.0 110.52 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.0 128.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.155 . . . . 0.0 109.545 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -154.87 -43.99 0.09 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.271 -0.893 . . . . 0.0 109.659 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -113.12 142.63 45.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.534 -0.729 . . . . 0.0 109.355 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -38.96 84.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.01 -33.25 66.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.578 -0.701 . . . . 0.0 109.684 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.15 -36.28 67.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.963 -1.086 . . . . 0.0 108.09 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.57 -41.43 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -64.96 -40.36 94.88 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.393 -0.817 . . . . 0.0 110.219 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.22 -49.79 74.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.156 -0.965 . . . . 0.0 108.979 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.33 -41.15 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.457 -0.777 . . . . 0.0 109.282 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 27.1 ttt -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.396 -0.815 . . . . 0.0 110.498 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -47.16 86.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.061 -1.024 . . . . 0.0 108.442 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -63.12 -39.96 96.21 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.566 0.698 . . . . 0.0 109.16 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.37 -47.88 84.17 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.31 100.9 0.51 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.637 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.94 -40.9 90.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.66 -0.65 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -88.35 -11.81 45.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.985 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.0 31.13 69.62 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -72.26 -4.54 30.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -1.196 . . . . 0.0 110.987 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.06 -5.91 73.93 Favored Glycine 0 N--CA 1.496 2.691 0 O-C-N 120.705 -1.247 . . . . 0.0 110.54 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -136.97 162.66 32.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -1.137 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 38.1 t -103.81 107.25 18.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.967 -1.083 . . . . 0.0 109.997 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.56 176.52 5.37 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.076 0.941 . . . . 0.0 111.491 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -59.97 -49.88 75.93 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.357 0.598 . . . . 0.0 110.059 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.64 -54.93 40.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.227 -0.921 . . . . 0.0 109.22 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.7 mt-10 -59.95 -44.17 94.58 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.81 -1.181 . . . . 0.0 108.371 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -48.79 -39.99 27.32 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.2 tpt -69.56 -30.18 67.91 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.95 -57.12 11.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.017 -1.052 . . . . 0.0 108.304 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -49.87 -39.8 40.55 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.79 -41.51 92.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 89.9 p -71.7 -48.95 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 0.0 109.812 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -52.21 -40.72 61.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.8 -28.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.195 -0.941 . . . . 0.0 108.591 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.1 m -69.87 -43.2 72.31 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -69.96 -59.01 3.18 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.56 -40.74 9.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.573 -0.705 . . . . 0.0 109.715 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.0 t . . . . . 0 N--CA 1.489 1.504 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.201 -179.846 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.99 -37.66 80.3 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 110.207 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.02 -35.75 74.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.019 -1.05 . . . . 0.0 109.798 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.0 109.717 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -62.8 -40.1 96.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.105 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.71 89.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.141 -0.974 . . . . 0.0 109.639 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 109.125 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.25 -34.41 53.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.775 -0.578 . . . . 0.0 109.719 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.11 86.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.891 -1.131 . . . . 0.0 109.651 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.58 -45.83 92.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.085 -1.01 . . . . 0.0 110.723 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.818 -1.176 . . . . 0.0 109.221 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -40.11 88.11 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -41.02 78.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.493 -0.754 . . . . 0.0 109.666 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.25 -57.36 7.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.132 -0.98 . . . . 0.0 110.26 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -59.78 -41.35 90.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.104 -0.997 . . . . 0.0 111.243 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.01 -39.97 75.53 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.293 -1.504 . . . . 0.0 108.835 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 47.2 t80 -73.32 -46.66 48.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.613 -0.68 . . . . 0.0 110.281 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -70.02 -21.08 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.89 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.62 20.71 36.76 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -82.18 -47.75 12.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.19 146.27 33.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.439 -0.788 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.74 -120.71 5.23 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -139.0 147.64 42.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.48 -1.012 . . . . 0.0 109.372 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 55.1 pttt -70.01 144.85 52.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.43 -0.794 . . . . 0.0 109.785 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 15.6 t60 81.77 13.59 0.59 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -147.9 104.65 3.59 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.47 130.08 47.64 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.173 -0.955 . . . . 0.0 110.507 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -91.23 162.98 14.41 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -59.77 -39.97 86.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.01 -1.056 . . . . 0.0 109.346 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 32.9 t -62.08 -40.04 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 108.952 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.94 -30.76 68.22 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -68.62 -39.95 80.59 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.9 -41.9 98.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.522 -0.736 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mp0 -60.46 -44.34 95.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.044 -1.035 . . . . 0.0 110.082 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.507 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 8.7 tt -59.91 -47.68 84.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.933 . . . . 0.0 110.258 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.18 -46.99 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 110.835 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -70.0 -21.55 63.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.56 -1.59 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.93 -1.106 . . . . 0.0 112.084 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.84 -49.63 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.322 -1.486 . . . . 0.0 111.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.48 120.63 25.73 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.61 -1.306 . . . . 0.0 109.791 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 p -150.47 -35.71 0.15 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.306 -0.871 . . . . 0.0 109.708 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.643 ' CD2' ' H ' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -79.17 -15.83 57.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.247 -0.908 . . . . 0.0 110.894 -179.204 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD2' ' CD2' ' A' ' 42' ' ' HIS . 64.9 m-85 -102.77 -18.97 14.9 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.019 -1.051 . . . . 0.0 109.473 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 46' ' ' GLU . 10.1 mp -112.86 163.41 14.66 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 57.4 mp0 -71.68 3.29 4.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.847 . . . . 0.0 109.463 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 43.5 tt0 78.51 21.27 0.8 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' GLU . 37.1 mm 46.88 95.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.447 -0.783 . . . . 0.0 109.929 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -80.0 -69.97 0.55 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.631 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -107.27 157.88 17.57 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.485 -0.76 . . . . 0.0 109.764 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.92 -37.77 80.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 0.0 109.756 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.09 39.44 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.264 -0.898 . . . . 0.0 109.915 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.67 -34.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.083 -1.011 . . . . 0.0 108.968 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.449 -0.782 . . . . 0.0 109.93 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.14 -41.87 93.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.278 -0.889 . . . . 0.0 110.408 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.75 -49.91 75.6 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.134 -0.979 . . . . 0.0 108.767 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.16 -40.65 83.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.732 -0.605 . . . . 0.0 109.581 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.58 -51.31 69.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.234 -0.916 . . . . 0.0 110.165 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.03 -41.68 99.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.062 -1.024 . . . . 0.0 108.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.43 -39.94 81.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.08 -39.97 75.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.483 -0.761 . . . . 0.0 109.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.31 104.09 1.41 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.074 -1.016 . . . . 0.0 109.636 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.23 -39.97 94.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.575 -0.703 . . . . 0.0 109.822 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -92.47 -7.62 46.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.24 -0.912 . . . . 0.0 111.265 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.53 73.01 Favored Glycine 0 N--CA 1.493 2.454 0 C-N-CA 119.502 -1.332 . . . . 0.0 109.947 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -70.36 -1.53 10.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.013 -1.287 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.49 -19.5 23.42 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.364 -0.922 . . . . 0.0 110.94 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 27.1 mp0 -124.26 173.65 8.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.155 -1.203 . . . . 0.0 109.055 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.8 104.08 13.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.351 -0.843 . . . . 0.0 109.512 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.14 176.09 4.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.418 -0.801 . . . . 0.0 110.512 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.02 -48.1 83.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.62 -0.675 . . . . 0.0 109.379 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -58.54 -55.13 39.02 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.956 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -43.14 95.54 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.963 -1.085 . . . . 0.0 108.473 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -50.46 -46.67 56.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.56 -39.97 80.83 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.08 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 110.416 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -91.89 -27.71 17.75 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.99 -42.14 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.433 ' O ' ' OG1' ' A' ' 81' ' ' THR . 46.2 t -66.78 -45.66 77.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.865 . . . . 0.0 108.942 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.38 -39.95 58.21 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.05 -1.031 . . . . 0.0 109.241 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.7 -29.86 47.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 78' ' ' SER . 56.5 p -81.41 -46.55 14.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 109.441 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 p -70.15 -15.11 62.91 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 109.872 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.79 65.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.251 -0.906 . . . . 0.0 109.048 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 95.3 m . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.58 -0.7 . . . . 0.0 109.305 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.03 -37.55 80.09 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.201 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -69.96 -35.91 74.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.086 -1.009 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -66.32 -40.11 89.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 109.766 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.03 -40.1 96.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.986 -1.071 . . . . 0.0 109.987 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.61 89.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.926 . . . . 0.0 109.847 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.02 -49.74 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.326 -0.859 . . . . 0.0 109.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.26 -34.52 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.1 86.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.961 -1.087 . . . . 0.0 109.638 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.52 -45.94 92.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.111 -0.993 . . . . 0.0 110.714 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.08 -49.96 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.806 -1.184 . . . . 0.0 109.185 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.59 -41.08 77.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.783 . . . . 0.0 109.646 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.21 -57.35 7.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.224 -0.922 . . . . 0.0 110.289 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.7 -41.46 90.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.107 -0.996 . . . . 0.0 111.246 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.94 -40.05 75.72 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.293 -1.504 . . . . 0.0 108.87 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.665 ' HH ' ' N ' ' B' ' 35' ' ' LEU . 46.3 t80 -73.21 -46.94 47.47 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.465 -0.772 . . . . 0.0 110.396 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.518 ' HG ' ' H ' ' B' ' 25' ' ' HIS . 35.5 t -70.03 -20.88 63.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.775 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.52 20.5 37.7 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -82.17 -47.62 12.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.121 -1.223 . . . . 0.0 109.452 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.13 146.38 33.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.373 -0.829 . . . . 0.0 109.584 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.77 -120.78 5.25 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -138.94 147.67 42.56 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.492 -1.005 . . . . 0.0 109.366 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 55.5 pttt -70.13 144.68 51.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.336 -0.852 . . . . 0.0 109.812 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.518 ' H ' ' HG ' ' B' ' 18' ' ' SER . 15.9 t60 82.08 13.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -147.89 104.73 3.6 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.48 130.01 47.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.043 -1.036 . . . . 0.0 110.473 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.11 162.92 14.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.72 -40.04 86.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.027 -1.046 . . . . 0.0 109.319 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.443 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 32.6 t -61.96 -40.12 94.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.988 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.93 -30.7 68.17 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.755 0.788 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.5 -39.95 81.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -62.02 -41.89 98.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.589 -0.695 . . . . 0.0 110.627 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 30' ' ' SER . 2.6 mp0 -60.33 -44.52 95.42 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.016 -1.052 . . . . 0.0 110.053 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.665 ' N ' ' HH ' ' B' ' 17' ' ' TYR . 8.9 tt -60.0 -47.41 85.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.151 -0.968 . . . . 0.0 110.299 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.3 -47.0 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.202 -0.937 . . . . 0.0 110.834 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -70.02 -21.36 63.2 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.109 -0.995 . . . . 0.0 111.087 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -86.64 -1.77 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.879 -1.138 . . . . 0.0 112.23 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.64 -49.68 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.282 -1.511 . . . . 0.0 111.544 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -82.23 120.68 25.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.559 -1.338 . . . . 0.0 109.731 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 53.5 p -150.58 -35.73 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.348 -0.845 . . . . 0.0 109.692 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.624 ' H ' ' CD2' ' B' ' 42' ' ' HIS . 0.1 OUTLIER -79.33 -15.82 57.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.33 -0.856 . . . . 0.0 110.847 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.559 ' CD2' ' CD2' ' B' ' 42' ' ' HIS . 64.8 m-85 -102.77 -18.78 14.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.021 -1.049 . . . . 0.0 109.509 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mp -112.91 163.38 14.72 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 57.3 mp0 -71.75 3.5 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.486 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.6 tt0 78.26 21.35 0.85 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.415 0.626 . . . . 0.0 109.437 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' B' ' 46' ' ' GLU . 36.5 mm 46.92 95.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.443 -0.786 . . . . 0.0 109.957 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -79.96 -70.11 0.54 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.362 -0.836 . . . . 0.0 109.472 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -107.26 158.09 17.4 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.423 -0.798 . . . . 0.0 109.819 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -60.11 -37.65 80.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 0.0 109.674 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.04 39.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.249 -0.907 . . . . 0.0 109.931 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.62 -34.72 71.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.081 -1.012 . . . . 0.0 108.935 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.27 -46.5 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.16 -41.83 93.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.209 -0.932 . . . . 0.0 110.369 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.66 -49.9 75.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.103 -0.998 . . . . 0.0 108.792 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.27 -40.74 83.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.73 -0.606 . . . . 0.0 109.549 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.59 -51.19 69.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.292 -0.88 . . . . 0.0 110.254 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.0 -41.77 99.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 108.809 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -68.32 -39.99 81.78 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.0 -40.41 75.3 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.429 -0.794 . . . . 0.0 109.829 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.72 104.05 1.23 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.148 -0.97 . . . . 0.0 109.643 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.21 -40.0 94.65 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.544 -0.723 . . . . 0.0 109.884 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -92.49 -7.62 46.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.242 -0.911 . . . . 0.0 111.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.42 73.0 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.0 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.431 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 35.4 p-10 -70.12 -1.74 10.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.023 -1.28 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -19.48 23.85 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.355 -0.926 . . . . 0.0 110.862 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 27.1 mp0 -124.22 173.84 8.08 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.151 -1.205 . . . . 0.0 109.036 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.1 m -108.93 104.14 13.32 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.439 -0.788 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.25 176.18 4.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.427 -0.796 . . . . 0.0 110.505 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.0 -48.32 82.21 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.472 0.653 . . . . 0.0 109.292 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -58.44 -55.06 39.88 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.989 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -43.2 95.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.983 -1.073 . . . . 0.0 108.445 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.46 -46.47 56.73 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.8 -39.8 79.91 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.23 -13.1 2.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.051 -1.03 . . . . 0.0 110.411 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -91.72 -27.79 17.84 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.96 -42.32 89.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.437 ' O ' ' OG1' ' B' ' 81' ' ' THR . 45.5 t -66.71 -45.81 77.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 108.904 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.21 -40.03 57.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.147 -0.971 . . . . 0.0 109.308 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.6 -29.8 47.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 109.714 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 78' ' ' SER . 58.7 p -81.5 -46.67 14.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.165 -0.959 . . . . 0.0 109.4 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 p -70.03 -15.2 62.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.527 -0.733 . . . . 0.0 109.927 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.85 65.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 109.042 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.6 m . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.345 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.525 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 97.4 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.19 -32.58 74.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 110.215 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.97 -38.14 75.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.1 mp0 -64.33 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.037 -1.039 . . . . 0.0 109.532 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.75 87.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.067 -1.02 . . . . 0.0 109.315 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.92 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.12 -48.02 83.46 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.191 -0.943 . . . . 0.0 109.123 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.05 -37.81 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.533 -0.729 . . . . 0.0 109.35 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.16 78.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.879 -1.138 . . . . 0.0 109.415 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.03 -47.99 83.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.98 -1.075 . . . . 0.0 110.575 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.05 -51.2 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.011 -1.056 . . . . 0.0 110.119 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.03 -40.53 89.68 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.346 -0.846 . . . . 0.0 109.135 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.0 -41.46 79.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.431 -0.793 . . . . 0.0 109.772 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.88 -55.9 28.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.105 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -59.9 -40.1 87.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.119 -0.988 . . . . 0.0 111.586 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.69 -40.31 92.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 119.977 -1.702 . . . . 0.0 110.399 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -71.34 -42.36 68.64 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.259 -0.9 . . . . 0.0 110.089 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.6 m -72.95 -13.22 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.645 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.59 13.95 62.69 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 121.142 -0.974 . . . . 0.0 110.824 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -68.92 -39.79 79.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.821 -1.399 . . . . 0.0 109.031 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -96.59 1.5 51.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.553 -0.717 . . . . 0.0 109.68 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.73 -9.97 75.32 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 39.5 p-10 -99.62 106.12 18.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.324 -1.104 . . . . 0.0 109.433 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 64.7 mttp -93.05 146.41 23.66 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.146 -0.971 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 10.6 t-80 74.76 31.39 0.92 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.615 -0.678 . . . . 0.0 109.994 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HZ3' ' NZ ' ' A' ' 28' ' ' LYS . 63.2 tttm -158.97 101.04 1.6 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mp -100.25 121.12 40.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.276 -0.89 . . . . 0.0 111.234 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' NZ ' ' HZ3' ' A' ' 26' ' ' LYS . 61.7 mttp -92.31 164.53 13.48 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.15 -38.58 73.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.112 -0.992 . . . . 0.0 110.018 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -34.29 74.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.035 -1.041 . . . . 0.0 109.151 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.54 -30.43 64.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.563 -0.711 . . . . 0.0 109.169 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.22 -41.79 89.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.422 -0.798 . . . . 0.0 109.456 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -63.92 -44.88 91.58 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.355 -0.841 . . . . 0.0 110.185 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -42.24 79.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.782 -1.199 . . . . 0.0 109.925 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.16 -49.08 79.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.873 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.19 -47.74 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 0.0 110.41 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -60.04 -41.4 92.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.068 -1.02 . . . . 0.0 111.101 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -72.66 -41.66 65.18 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.012 -1.055 . . . . 0.0 110.896 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -87.44 -75.06 0.42 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.454 -0.779 . . . . 0.0 111.44 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mp -82.01 120.76 25.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.035 . . . . 0.0 110.597 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -131.26 -60.05 0.96 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -81.82 -10.76 59.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.191 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -98.73 -0.56 42.52 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 tp -145.92 145.02 30.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.024 -1.047 . . . . 0.0 109.187 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 58.2 mp0 -69.93 142.23 52.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 108.9 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 51.5 mp0 -64.64 139.87 58.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -99.98 120.53 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.368 -0.832 . . . . 0.0 109.751 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -96.48 -22.88 16.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.892 . . . . 0.0 109.685 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -115.17 130.03 56.81 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' VAL . 54.5 tt0 -60.74 -38.9 86.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.653 -0.654 . . . . 0.0 110.246 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -46.24 -32.5 3.09 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.159 -0.963 . . . . 0.0 109.617 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.87 -31.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.326 -0.858 . . . . 0.0 108.893 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' GLN . 55.3 t -69.61 -41.15 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 108.869 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.15 -40.01 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.571 -0.706 . . . . 0.0 109.838 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -65.88 -40.62 91.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 108.767 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.05 -40.17 88.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.644 -0.66 . . . . 0.0 109.366 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 ttm -66.17 -44.39 84.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.28 -50.33 74.07 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 109.627 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -70.08 -39.99 75.26 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.509 -0.745 . . . . 0.0 109.651 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.05 -39.76 75.53 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.473 -0.767 . . . . 0.0 109.768 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 65.1 t0 -66.16 110.53 3.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.324 -0.86 . . . . 0.0 110.241 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.06 -49.69 76.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.686 -0.633 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.2 p-10 -94.19 -1.22 54.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.039 -1.038 . . . . 0.0 111.264 -178.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.74 71.99 Favored Glycine 0 N--CA 1.49 2.294 0 O-C-N 120.632 -1.293 . . . . 0.0 110.274 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 39.3 p-10 -72.58 -0.86 14.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.358 . . . . 0.0 109.717 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.71 28.37 65.33 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -159.43 159.5 33.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.8 t -113.92 103.54 11.27 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.096 -1.003 . . . . 0.0 109.203 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 35.3 t0 -71.03 175.42 5.2 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.144 0.973 . . . . 0.0 111.242 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.495 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 51.9 t80 -64.04 -44.25 93.07 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.717 0.77 . . . . 0.0 109.201 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -59.41 -54.83 42.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.949 -1.094 . . . . 0.0 109.403 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.0 mt-10 -60.17 -42.23 94.52 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.814 -1.179 . . . . 0.0 108.783 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -46.4 -39.92 11.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.3 mmm -69.05 -28.87 66.93 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.97 -55.58 27.95 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.2 -40.06 61.01 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.89 -43.8 96.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' THR . 66.1 m -71.48 -47.69 53.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.893 . . . . 0.0 110.037 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.2 ttt -51.33 -40.47 59.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.427 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.4 -26.14 38.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' SER . 17.6 m -81.06 -49.92 10.29 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.523 0.678 . . . . 0.0 109.203 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 p -70.71 -16.72 62.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.387 -0.82 . . . . 0.0 110.145 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.04 94.36 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 108.7 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.446 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.481 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 89.5 p . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.24 -32.78 74.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.071 . . . . 0.0 110.185 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.09 -37.69 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.994 -1.066 . . . . 0.0 110.529 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 1' ' ' SER . 1.8 mp0 -64.07 -40.21 95.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.043 -1.036 . . . . 0.0 109.458 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.31 -39.96 88.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.965 -1.084 . . . . 0.0 109.42 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.372 -0.83 . . . . 0.0 109.559 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttm -60.0 -47.93 83.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.099 -1.001 . . . . 0.0 109.053 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.06 -37.48 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.55 -0.719 . . . . 0.0 109.235 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.11 80.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.75 -1.219 . . . . 0.0 109.488 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.94 -48.13 82.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.145 -0.972 . . . . 0.0 110.498 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.401 HD11 HG23 ' B' ' 11' ' ' ILE . 85.0 mt -59.91 -51.2 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.904 -1.123 . . . . 0.0 110.171 -178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.07 -40.35 89.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.95 -41.72 79.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 109.889 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.0 -55.81 29.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.787 -1.196 . . . . 0.0 111.11 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -60.03 -40.01 87.84 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.211 -0.93 . . . . 0.0 111.527 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.82 -39.96 91.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.097 -1.627 . . . . 0.0 110.44 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -71.58 -42.37 67.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.326 -0.858 . . . . 0.0 110.102 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.5 m -73.12 -13.05 61.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.0 109.522 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.31 13.62 63.16 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -68.97 -39.79 79.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.835 -1.391 . . . . 0.0 109.272 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -96.7 1.83 51.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.452 -0.78 . . . . 0.0 109.659 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.81 -10.68 72.92 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 23' ' ' ASP . 40.1 p-10 -99.0 106.41 18.66 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.238 -1.154 . . . . 0.0 109.44 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 63.9 mttp -93.21 146.41 23.71 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.277 -0.889 . . . . 0.0 109.749 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.421 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 11.1 t-80 74.7 31.06 0.97 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.6 0.714 . . . . 0.0 109.952 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.519 ' NZ ' ' HZ3' ' B' ' 28' ' ' LYS . 63.3 tttm -158.55 101.16 1.67 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mp -100.35 120.99 40.78 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.156 -0.965 . . . . 0.0 111.247 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.519 ' HZ3' ' NZ ' ' B' ' 26' ' ' LYS . 62.0 mttp -91.72 164.12 13.84 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -56.95 -38.98 73.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.266 -0.896 . . . . 0.0 109.723 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -60.68 -34.46 74.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -72.16 -30.55 65.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.02 -41.69 90.64 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.479 -0.763 . . . . 0.0 109.413 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -63.98 -45.08 90.65 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.204 -0.935 . . . . 0.0 110.244 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.49 -42.4 78.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 109.763 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.88 -49.17 78.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.461 -0.774 . . . . 0.0 110.026 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.94 -47.83 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.837 . . . . 0.0 110.337 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.16 -41.65 93.24 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.949 -1.094 . . . . 0.0 111.029 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -72.12 -41.9 66.7 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.037 -1.039 . . . . 0.0 110.942 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -87.51 -75.03 0.42 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 111.291 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.23 120.78 25.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.954 -1.091 . . . . 0.0 110.628 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 63.1 p -131.2 -60.08 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -81.54 -10.97 59.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.162 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -98.87 -0.9 41.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.348 -0.845 . . . . 0.0 109.956 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.36 145.17 31.08 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.05 -1.031 . . . . 0.0 109.242 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 58.7 mp0 -70.12 142.01 52.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 0.0 108.87 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 52.9 mp0 -64.42 140.03 58.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.298 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.421 HD12 HG22 ' B' ' 47' ' ' ILE . 87.6 mt -100.4 120.56 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.338 -0.851 . . . . 0.0 109.507 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -96.48 -22.24 17.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.053 -1.029 . . . . 0.0 109.711 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -115.41 130.23 56.82 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.292 -0.88 . . . . 0.0 110.822 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' B' ' 53' ' ' VAL . 54.3 tt0 -60.9 -38.91 87.32 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.652 -0.655 . . . . 0.0 110.305 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -46.26 -32.6 3.17 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 -31.25 52.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.289 -0.882 . . . . 0.0 108.922 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.5 t -69.51 -41.34 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.423 -0.798 . . . . 0.0 108.922 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -61.95 -40.12 94.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.982 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.08 -40.12 90.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.153 -0.967 . . . . 0.0 108.845 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.27 -40.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.705 -0.622 . . . . 0.0 109.382 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 5.8 ttm -66.36 -44.26 83.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.328 -0.858 . . . . 0.0 110.043 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.29 -50.36 73.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.405 -0.809 . . . . 0.0 109.725 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.5 m -70.1 -40.24 75.06 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.645 0.736 . . . . 0.0 109.41 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.0 -40.0 75.55 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.674 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 65.3 t0 -65.77 110.59 2.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.259 -0.901 . . . . 0.0 110.344 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.28 -49.35 77.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.767 -0.583 . . . . 0.0 110.77 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 48.5 p-10 -94.56 -0.85 54.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.032 -1.042 . . . . 0.0 111.362 -178.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.74 28.56 71.83 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 119.545 -1.312 . . . . 0.0 110.283 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.505 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 39.6 p-10 -72.56 -1.08 14.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.878 -1.366 . . . . 0.0 109.71 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 26.58 66.51 Favored Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.886 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -158.84 159.51 35.14 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 22.3 t -113.22 103.24 11.14 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.968 -1.082 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.4 t0 -70.9 175.61 4.95 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 122.273 1.035 . . . . 0.0 111.104 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.436 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 52.6 t80 -64.33 -44.17 92.37 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.178 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.18 -55.0 40.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.035 -1.041 . . . . 0.0 109.346 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 75' ' ' ALA . 97.1 mt-10 -59.82 -42.67 94.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.811 -1.181 . . . . 0.0 108.92 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -46.35 -39.94 11.1 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -68.87 -29.23 67.49 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 0.0 108.577 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.08 -55.3 30.4 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.15 -40.06 60.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -43.79 96.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 81' ' ' THR . 70.9 m -71.05 -48.36 53.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.544 -0.723 . . . . 0.0 109.947 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ttt -51.0 -40.42 58.06 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.965 . . . . 0.0 109.586 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 78.0 t -65.75 -25.85 37.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.432 ' N ' ' O ' ' B' ' 78' ' ' SER . 15.7 m -81.39 -49.88 10.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -70.64 -16.98 62.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.1 94.93 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 108.681 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.259 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 58.9 mp0 -59.97 -39.28 85.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.281 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.76 -36.13 72.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.859 -1.151 . . . . 0.0 109.419 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 85.8 tt0 -69.36 -40.06 77.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.034 -1.042 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.94 -39.86 86.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.98 87.71 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.2 ttp -61.58 -50.54 72.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.404 -0.81 . . . . 0.0 109.555 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -40.11 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 90.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.286 -0.884 . . . . 0.0 109.694 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.93 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 11' ' ' ILE . 96.7 mt -60.05 -49.93 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.092 . . . . 0.0 109.109 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.99 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.277 -0.89 . . . . 0.0 108.705 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.45 -40.07 83.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.45 -54.75 31.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.136 -0.977 . . . . 0.0 110.547 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.97 -41.19 91.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.15 -0.968 . . . . 0.0 111.755 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.28 -40.06 77.98 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.403 -1.436 . . . . 0.0 110.157 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -74.96 -45.82 39.7 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.484 -0.887 . . . . 0.0 110.275 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -70.37 -20.16 62.98 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 110.127 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.19 20.69 20.04 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -88.65 -55.81 3.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.273 . . . . 0.0 108.77 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -139.85 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.87 179.04 33.36 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -60.11 -54.47 45.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.239 . . . . 0.0 109.648 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -176.77 -66.63 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.437 -0.789 . . . . 0.0 110.008 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.886 ' NE2' ' HZ1' ' A' ' 26' ' ' LYS . 29.1 p-80 -109.51 25.04 12.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.109 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.886 ' HZ1' ' NE2' ' A' ' 25' ' ' HIS . 13.9 mptt -105.26 121.55 44.09 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -98.09 121.97 40.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.342 -0.849 . . . . 0.0 109.152 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -90.93 163.36 14.39 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.933 -1.104 . . . . 0.0 108.988 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.2 p -63.91 -40.04 95.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.03 -1.044 . . . . 0.0 108.561 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.03 -32.56 70.76 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.616 0.722 . . . . 0.0 109.189 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.98 -40.53 75.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 109.57 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HZ1' ' CB ' ' A' ' 33' ' ' LYS . 7.4 ttpm? -63.41 -40.08 96.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.364 -0.835 . . . . 0.0 109.988 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.8 -43.59 83.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 109.309 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.93 -46.5 89.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.501 -0.749 . . . . 0.0 109.348 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.2 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.737 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -39.96 94.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.126 -0.984 . . . . 0.0 110.304 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -78.88 -51.55 9.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.172 -0.955 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -86.04 -73.93 0.43 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.074 -1.016 . . . . 0.0 111.439 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 36' ' ' ILE . 5.4 mp -88.79 94.9 10.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.863 -1.148 . . . . 0.0 110.857 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 t -140.37 -36.06 0.49 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -73.55 -7.0 50.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.62 -0.675 . . . . 0.0 110.404 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CZ ' ' OE2' ' B' ' 4' ' ' GLU . 84.7 m-85 -113.9 -9.53 13.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.066 -1.021 . . . . 0.0 109.031 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.31 174.67 5.78 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.836 0.827 . . . . 0.0 110.347 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -89.52 13.81 12.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.764 -0.585 . . . . 0.0 110.042 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.02 96.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.4 -0.812 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 93.3 mt -67.26 123.89 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.037 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -103.54 -24.77 13.39 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.599 -0.688 . . . . 0.0 109.938 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -100.55 136.48 40.36 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.207 -0.933 . . . . 0.0 110.273 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -68.75 -39.94 80.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.329 -0.857 . . . . 0.0 109.56 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.36 -31.95 55.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.82 . . . . 0.0 109.799 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.41 -33.88 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.99 -44.64 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.09 -49.94 75.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.681 -0.637 . . . . 0.0 109.896 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -59.92 -49.93 75.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.01 -40.96 89.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tpt -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.319 -0.863 . . . . 0.0 109.709 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.0 -41.99 93.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.142 -0.974 . . . . 0.0 108.915 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -66.57 -40.02 88.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.48 -0.762 . . . . 0.0 109.317 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -41.16 69.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.618 -0.677 . . . . 0.0 109.905 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.62 99.62 0.61 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.031 -1.043 . . . . 0.0 110.657 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.09 -39.9 90.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 108.947 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -86.41 -10.78 53.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.494 -0.754 . . . . 0.0 110.387 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.68 74.11 Favored Glycine 0 N--CA 1.492 2.42 0 C-N-CA 119.872 -1.156 . . . . 0.0 110.279 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 38.2 p-10 -72.54 -5.67 38.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.94 -1.329 . . . . 0.0 110.244 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.01 -9.18 40.01 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.748 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 14.6 pt-20 -137.95 164.5 28.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.933 -1.333 . . . . 0.0 107.784 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.81 107.71 17.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.847 -1.158 . . . . 0.0 110.095 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -72.88 -179.04 2.98 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.79 0.805 . . . . 0.0 110.487 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.06 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.349 0.595 . . . . 0.0 110.216 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 25.8 mp0 -58.64 -54.62 45.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.097 -1.002 . . . . 0.0 109.752 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -41.06 91.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.919 -1.113 . . . . 0.0 108.324 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -51.53 -39.95 58.71 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -65.9 -28.36 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.189 -0.945 . . . . 0.0 108.988 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -66.34 -53.65 33.76 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.17 -40.0 45.45 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -41.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 81' ' ' THR . 59.7 p -70.07 -48.19 58.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ttt -47.93 -40.57 22.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.37 -0.831 . . . . 0.0 109.427 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.92 -27.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' SER . 12.4 m -83.06 -47.21 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -69.02 -16.56 63.74 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.603 -0.686 . . . . 0.0 109.959 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.29 -64.66 1.05 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 108.62 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.671 -0.643 . . . . 0.0 109.621 -179.861 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.448 ' HG ' ' CB ' ' B' ' 4' ' ' GLU . 54.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 58.4 mp0 -59.95 -39.47 85.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.915 . . . . 0.0 110.308 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.8 -36.03 72.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.096 . . . . 0.0 109.413 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.489 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 86.3 tt0 -69.57 -39.92 77.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.993 -1.067 . . . . 0.0 110.236 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.07 -39.86 87.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.218 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.88 88.04 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.9 ttp -61.85 -50.35 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.157 -0.964 . . . . 0.0 109.026 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.88 90.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.842 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.98 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.295 -0.878 . . . . 0.0 110.067 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.061 -1.025 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 108.654 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.55 -40.06 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -0.95 . . . . 0.0 109.158 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.53 -54.74 31.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.178 -0.951 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -60.06 -40.71 90.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.087 -1.008 . . . . 0.0 111.825 -177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.43 -39.92 77.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.367 -1.458 . . . . 0.0 110.162 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -75.37 -45.39 39.56 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 110.253 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -70.28 -20.52 63.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.218 -0.926 . . . . 0.0 110.084 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.99 20.62 19.45 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.74 -55.8 3.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.011 -1.288 . . . . 0.0 108.803 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.82 159.85 41.24 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.4 179.29 32.54 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 23' ' ' ASP . 35.7 t0 -60.52 -54.85 40.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.212 -1.17 . . . . 0.0 109.494 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -176.25 -66.72 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 110.072 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.939 ' NE2' ' HZ2' ' B' ' 26' ' ' LYS . 27.2 p-80 -109.38 25.29 11.97 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.47 -0.768 . . . . 0.0 109.978 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.939 ' HZ2' ' NE2' ' B' ' 25' ' ' HIS . 13.6 mptt -105.23 121.48 43.94 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 91.8 mt -97.82 121.74 40.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.271 -0.893 . . . . 0.0 109.186 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -91.08 163.5 14.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -59.96 -40.02 87.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.957 -1.089 . . . . 0.0 109.066 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -63.64 -39.96 95.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.969 -1.082 . . . . 0.0 108.573 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.04 -32.7 70.95 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.627 0.727 . . . . 0.0 109.168 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.93 -40.68 75.38 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.619 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -63.37 -40.27 96.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.394 -0.816 . . . . 0.0 109.88 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -66.57 -43.77 84.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.105 -0.997 . . . . 0.0 109.396 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.1 tp -59.88 -47.07 87.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.143 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' B' ' 40' ' ' LEU . 93.1 mt -61.39 -44.18 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.186 -0.946 . . . . 0.0 109.767 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.44 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 110.338 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -79.12 -51.65 9.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -85.84 -73.58 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.029 -1.044 . . . . 0.0 111.495 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 36' ' ' ILE . 5.3 mp -89.0 94.74 10.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -140.2 -36.24 0.49 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -73.32 -7.12 50.24 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.58 -0.7 . . . . 0.0 110.482 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 4' ' ' GLU . 83.5 m-85 -113.81 -9.83 13.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.077 -1.014 . . . . 0.0 108.963 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -106.99 174.73 5.76 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.86 0.838 . . . . 0.0 110.385 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.46 13.72 13.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.849 -0.532 . . . . 0.0 109.968 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.03 96.24 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.578 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.45 123.96 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 110.022 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -103.76 -24.38 13.33 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.535 -0.728 . . . . 0.0 109.975 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -100.8 136.65 40.33 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.162 -0.961 . . . . 0.0 110.151 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -68.68 -40.06 80.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.824 . . . . 0.0 109.447 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.18 -32.16 54.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.448 -0.783 . . . . 0.0 109.744 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.38 -33.97 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 0.0 108.841 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.94 -44.75 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.96 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.521 -0.737 . . . . 0.0 109.996 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.96 -49.8 76.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 108.362 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.9 -40.97 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.619 -0.676 . . . . 0.0 109.295 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.5 tpt -60.02 -50.07 75.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 0.0 109.786 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 0.0 108.876 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -66.54 -40.05 88.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.772 . . . . 0.0 109.342 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -41.88 69.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.625 -0.672 . . . . 0.0 109.866 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -66.29 99.82 0.57 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.93 -1.106 . . . . 0.0 110.721 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.19 -39.62 89.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.954 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -86.63 -10.67 53.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.442 -0.786 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.91 24.36 74.34 Favored Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.809 -1.186 . . . . 0.0 110.174 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 38.4 p-10 -72.33 -5.92 39.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.966 -1.314 . . . . 0.0 110.351 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.27 -9.38 40.93 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.732 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.435 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 14.6 pt-20 -137.93 164.47 28.93 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.054 -1.262 . . . . 0.0 107.869 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.4 t -109.82 107.7 17.76 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.856 -1.153 . . . . 0.0 110.015 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -72.74 -179.42 3.1 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.719 0.771 . . . . 0.0 110.455 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.05 -49.62 76.93 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.476 0.655 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 25.8 mp0 -58.58 -54.96 41.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.106 -0.996 . . . . 0.0 109.725 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.959 -1.088 . . . . 0.0 108.356 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 92.3 t80 -51.33 -39.93 58.0 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.781 -0.768 . . . . 0.0 108.968 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.4 tpt -65.79 -28.54 69.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.4 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.67 -53.27 35.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 0.0 108.683 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.04 -39.94 43.34 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.2 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.53 ' O ' ' N ' ' B' ' 81' ' ' THR . 60.0 p -69.97 -48.31 58.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.83 . . . . 0.0 109.398 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.3 ttt -48.13 -40.54 23.94 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.271 -0.893 . . . . 0.0 109.339 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -68.61 -27.77 37.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.53 ' N ' ' O ' ' B' ' 78' ' ' SER . 12.3 m -82.92 -47.5 11.73 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.759 0.79 . . . . 0.0 109.109 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -68.49 -16.78 64.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.714 -0.616 . . . . 0.0 109.976 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.46 -64.82 1.02 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.509 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.498 -0.751 . . . . 0.0 109.66 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -35.41 75.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.202 -0.936 . . . . 0.0 110.196 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.5 -33.27 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.814 -1.179 . . . . 0.0 109.813 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.21 -41.97 99.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.03 -39.91 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.3 -0.875 . . . . 0.0 110.004 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.52 85.46 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 67.1 mtt -59.91 -47.41 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.051 -1.031 . . . . 0.0 109.291 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -59.96 -40.07 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.613 -0.68 . . . . 0.0 110.97 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.3 93.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.64 -1.287 . . . . 0.0 110.503 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.98 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.884 -1.135 . . . . 0.0 109.539 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.99 -51.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.933 -1.105 . . . . 0.0 109.717 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -42.84 94.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 109.847 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.9 -42.03 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.13 -53.67 55.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.137 -0.977 . . . . 0.0 110.027 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.96 -43.67 94.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 112.077 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.72 -39.95 76.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.304 -1.498 . . . . 0.0 109.513 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CZ ' ' NH2' ' A' ' 20' ' ' ARG . 65.2 t80 -69.06 -46.22 68.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.528 -0.732 . . . . 0.0 109.17 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -76.12 -18.05 59.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.62 13.67 61.86 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.596 ' NH2' ' CZ ' ' A' ' 17' ' ' TYR . 85.3 mtm180 -72.15 -39.65 68.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.874 -1.368 . . . . 0.0 108.499 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' A' ' 23' ' ' ASP . 31.6 mp0 -108.92 161.55 15.04 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.38 37.17 0.12 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' A' ' 21' ' ' GLU . 43.4 p-10 -125.75 92.32 3.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.36 -1.083 . . . . 0.0 108.86 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 99.0 mttt -100.09 122.76 43.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.169 -0.957 . . . . 0.0 111.253 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.3 t-80 87.94 28.91 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.132 0.492 . . . . 0.0 110.905 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -170.86 123.59 0.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.8 mt -109.75 142.74 40.55 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.797 0.808 . . . . 0.0 110.799 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -97.3 167.65 10.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -58.01 -39.61 78.73 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -59.96 -38.25 81.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.016 -1.053 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.04 -34.55 73.38 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.12 -42.43 76.07 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.716 -0.615 . . . . 0.0 109.407 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -66.96 -40.02 87.38 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.336 -0.853 . . . . 0.0 110.225 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 88.1 tt0 -59.98 -42.95 95.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.061 -1.024 . . . . 0.0 109.546 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' GLU . 61.8 tp -58.98 -43.05 91.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.8 mt -62.08 -42.68 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.105 -0.997 . . . . 0.0 109.347 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.09 -45.36 93.21 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 109.566 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -80.71 -42.96 21.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.549 -0.719 . . . . 0.0 110.803 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 36' ' ' ILE . 23.2 tp10 -113.61 164.85 13.14 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.381 -0.824 . . . . 0.0 110.294 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mp 61.31 21.35 11.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.364 -0.835 . . . . 0.0 110.371 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.7 m -64.03 -45.71 87.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 109.411 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -81.46 -24.12 37.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.219 -0.926 . . . . 0.0 110.115 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -98.54 0.03 44.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.72 134.05 7.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.908 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 42.5 mp0 -72.4 140.85 48.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.861 . . . . 0.0 109.411 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.66 136.99 58.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.17 -0.956 . . . . 0.0 108.736 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 47' ' ' ILE . 85.3 mt -107.02 119.98 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.42 -0.8 . . . . 0.0 109.284 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -96.32 -13.0 23.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 57.4 mp0 -99.59 118.8 36.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.087 -1.008 . . . . 0.0 109.705 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.04 -39.24 94.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.375 -0.828 . . . . 0.0 109.47 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -53.81 -35.37 61.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.505 -0.747 . . . . 0.0 109.605 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.2 -36.34 67.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.854 -1.154 . . . . 0.0 108.315 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.97 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -59.98 -40.39 88.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.73 -44.3 97.18 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.02 -1.05 . . . . 0.0 109.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.97 -41.88 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.315 -0.865 . . . . 0.0 109.542 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 ttt -60.16 -47.68 84.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.352 -0.842 . . . . 0.0 110.971 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.06 -41.05 91.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.945 -1.097 . . . . 0.0 109.095 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.01 95.18 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.577 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -72.41 -39.98 67.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.49 -0.757 . . . . 0.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.74 93.79 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.027 -1.046 . . . . 0.0 110.645 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.6 mp0 -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.152 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -82.47 -15.52 52.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.935 . . . . 0.0 110.277 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.09 29.93 70.2 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 42.8 p-10 -76.47 0.09 21.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.121 -1.223 . . . . 0.0 110.523 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.11 2.02 65.05 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.783 -1.198 . . . . 0.0 110.223 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 98.6 mt-10 -139.92 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -106.95 108.44 19.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.867 -1.146 . . . . 0.0 109.078 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -70.23 -178.73 1.75 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.288 -0.882 . . . . 0.0 110.173 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.98 -50.06 75.25 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.536 0.684 . . . . 0.0 109.584 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.41 -52.18 66.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 109.614 -177.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.02 -44.27 94.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.625 -1.297 . . . . 0.0 108.188 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -47.14 -42.66 19.81 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' VAL . 96.5 mmm -70.09 -39.98 75.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.94 -12.86 0.91 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.939 -1.1 . . . . 0.0 110.184 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -91.73 -30.28 16.35 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' MET . 54.6 t -66.33 -39.92 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.732 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.8 p -71.32 -50.49 31.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 110.159 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 ttt -54.26 -39.97 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.983 -1.073 . . . . 0.0 108.683 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.99 -33.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -62.62 -43.04 99.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.413 -0.804 . . . . 0.0 109.176 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -70.44 -51.98 25.5 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.143 -0.973 . . . . 0.0 108.705 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.43 -39.79 23.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.502 -0.749 . . . . 0.0 109.516 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.0 109.309 -179.493 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.05 -35.05 74.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.09 -33.21 74.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.802 -1.187 . . . . 0.0 109.649 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.94 -42.19 99.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 109.94 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.903 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.63 85.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.486 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.04 -47.25 86.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.105 -0.997 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.04 -40.03 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.575 -0.703 . . . . 0.0 111.049 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.96 94.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.675 -1.265 . . . . 0.0 110.632 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.03 -49.43 77.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.04 -1.038 . . . . 0.0 109.505 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -51.9 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.991 -1.068 . . . . 0.0 109.82 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.1 -42.76 95.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.73 -42.28 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 109.472 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.06 -53.73 54.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.058 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.92 -43.63 94.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.185 -0.947 . . . . 0.0 112.097 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.74 -40.01 76.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.32 -1.488 . . . . 0.0 109.358 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.594 ' CZ ' ' NH2' ' B' ' 20' ' ' ARG . 64.7 t80 -69.06 -46.2 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 109.287 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.0 t -76.07 -18.1 59.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.56 13.56 62.05 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.594 ' NH2' ' CZ ' ' B' ' 17' ' ' TYR . 84.7 mtm180 -72.08 -39.52 68.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.761 -1.435 . . . . 0.0 108.602 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' B' ' 23' ' ' ASP . 31.6 mp0 -108.99 161.57 15.03 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.58 37.4 0.13 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 21' ' ' GLU . 43.8 p-10 -125.77 92.09 3.53 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -1.092 . . . . 0.0 108.895 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 99.2 mttt -99.91 123.03 43.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.152 -0.968 . . . . 0.0 111.297 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.3 t-80 87.86 28.77 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.091 0.472 . . . . 0.0 110.901 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -170.8 123.55 0.63 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.207 -0.933 . . . . 0.0 109.157 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -109.78 142.59 40.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.836 0.827 . . . . 0.0 110.883 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -97.15 167.6 10.95 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -57.97 -39.6 78.57 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.456 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 59.5 p -60.07 -38.18 82.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 108.769 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.456 ' N ' ' HG ' ' B' ' 30' ' ' SER . 45.9 mt-10 -70.0 -34.55 73.47 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 108.731 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.24 -42.16 76.02 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.511 ' CB ' ' HZ3' ' B' ' 33' ' ' LYS . 8.0 ttpm? -67.06 -40.0 86.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.167 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.53 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 87.8 tt0 -60.01 -43.06 95.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.039 -1.038 . . . . 0.0 109.535 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 39' ' ' GLU . 62.5 tp -58.93 -42.94 90.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.595 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' B' ' 39' ' ' GLU . 85.9 mt -62.15 -42.65 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 109.337 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -60.05 -45.36 93.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.817 -1.177 . . . . 0.0 109.466 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.74 -43.06 20.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.518 -0.739 . . . . 0.0 110.767 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' B' ' 36' ' ' ILE . 23.3 tp10 -113.48 165.01 12.9 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.399 -0.813 . . . . 0.0 110.327 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp 61.15 21.4 11.83 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.859 . . . . 0.0 110.397 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 62.2 m -64.01 -45.75 87.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.943 -1.098 . . . . 0.0 109.406 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -81.47 -24.33 36.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.38 0.02 44.56 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.276 -0.89 . . . . 0.0 110.099 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.63 134.05 7.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.06 -1.025 . . . . 0.0 108.897 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 42.6 mp0 -72.34 140.94 48.77 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.277 -0.89 . . . . 0.0 109.51 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.71 136.92 58.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.971 . . . . 0.0 108.721 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -106.88 120.05 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.532 -0.73 . . . . 0.0 109.3 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -96.36 -12.88 23.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.4 mp0 -99.86 118.74 36.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.217 -0.927 . . . . 0.0 109.66 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.15 -39.19 93.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.303 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -53.6 -35.53 60.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 109.666 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.01 -36.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.002 -1.061 . . . . 0.0 108.379 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.95 -40.05 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.683 -0.636 . . . . 0.0 109.285 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -59.92 -40.37 88.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.357 -0.839 . . . . 0.0 110.18 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.81 -44.42 96.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.036 -1.04 . . . . 0.0 108.974 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.99 -41.83 79.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.24 -0.913 . . . . 0.0 109.678 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.4 ttt -60.22 -47.61 85.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.986 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -41.1 91.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.921 -1.112 . . . . 0.0 109.149 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.03 95.25 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 109.466 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.32 -40.5 67.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.57 94.45 0.99 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.67 -1.269 . . . . 0.0 110.688 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.0 mp0 -60.05 -40.02 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.093 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -82.53 -15.26 53.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.259 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.98 29.86 70.46 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 42.8 p-10 -76.39 -0.08 21.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.205 -1.174 . . . . 0.0 110.517 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.26 2.12 66.19 Favored Glycine 0 N--CA 1.491 2.34 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.264 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 98.6 mt-10 -139.97 159.99 40.94 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.3 t -106.89 108.37 19.85 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.929 -1.107 . . . . 0.0 109.058 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -70.12 -178.81 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.274 -0.891 . . . . 0.0 110.148 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.06 -49.89 75.86 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.495 0.664 . . . . 0.0 109.67 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -59.48 -52.16 66.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 109.639 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.96 -44.31 94.51 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.684 -1.26 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -47.18 -42.57 20.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.44 ' O ' ' N ' ' B' ' 77' ' ' VAL . 97.2 mmm -70.02 -39.98 75.49 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.99 -12.88 0.93 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.947 -1.095 . . . . 0.0 110.202 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.86 -30.03 16.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' B' ' 74' ' ' MET . 54.6 t -66.4 -39.98 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.72 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.593 ' HG ' ' H ' ' B' ' 79' ' ' MET . 82.9 p -71.35 -50.39 32.79 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.024 -1.047 . . . . 0.0 110.2 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.593 ' H ' ' HG ' ' B' ' 78' ' ' SER . 25.7 ttt -54.26 -40.04 67.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.959 -1.088 . . . . 0.0 108.635 -178.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 45.8 t -69.91 -33.45 55.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 0.0 109.16 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.6 p -70.48 -51.86 26.07 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.061 -1.024 . . . . 0.0 108.701 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.56 -39.81 24.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.772 . . . . 0.0 109.515 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.232 -0.918 . . . . 0.0 109.327 -179.482 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.256 0.55 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.04 -35.77 75.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.208 -0.933 . . . . 0.0 110.33 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 2.8 mm? -67.49 -33.23 74.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.706 -1.246 . . . . 0.0 109.861 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.13 -44.24 95.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.052 -1.03 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.82 -38.89 86.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.338 -0.851 . . . . 0.0 110.275 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.27 78.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.83 -45.0 75.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.973 -1.079 . . . . 0.0 109.728 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.13 -40.61 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.162 -0.961 . . . . 0.0 110.229 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.15 95.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.826 -1.171 . . . . 0.0 110.381 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.25 -45.91 91.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 110.152 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.4 HG21 HD12 ' A' ' 11' ' ' ILE . 91.4 mt -60.22 -51.05 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.935 -1.103 . . . . 0.0 109.188 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.01 -41.48 92.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.847 . . . . 0.0 109.431 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.94 -41.51 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 109.432 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -63.72 -58.62 6.31 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 111.123 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -60.17 -40.24 89.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.998 -1.064 . . . . 0.0 111.774 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.13 -41.12 74.34 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.385 -1.447 . . . . 0.0 109.829 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.543 ' HH ' ' N ' ' A' ' 35' ' ' LEU . 48.7 t80 -74.64 -41.33 60.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.805 . . . . 0.0 109.602 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -70.05 -21.37 63.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.473 -0.767 . . . . 0.0 109.506 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 22.72 15.77 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 75.5 ttt-85 -71.21 -39.99 71.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.264 -1.139 . . . . 0.0 109.438 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.8 mm-40 -108.05 160.01 16.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.537 -0.727 . . . . 0.0 109.644 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.76 -16.59 0.13 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.2 m-20 -85.98 107.43 17.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.006 -1.291 . . . . 0.0 109.41 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 88.7 tttt -100.22 125.92 46.45 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.391 -0.818 . . . . 0.0 110.408 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 4.4 t-80 77.86 41.58 0.13 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.487 0.661 . . . . 0.0 109.849 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -160.96 120.15 2.59 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 3.5 mm? -97.64 113.43 25.17 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.155 -0.966 . . . . 0.0 110.061 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 32' ' ' LEU . 58.9 tttp -87.5 160.37 18.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.644 -0.66 . . . . 0.0 109.283 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -55.63 -49.96 71.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 109.641 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 t -61.02 -39.99 91.86 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.96 -1.088 . . . . 0.0 108.253 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -69.89 -31.47 69.29 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 28' ' ' LYS . 59.9 tp -69.98 -40.41 75.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.573 -0.705 . . . . 0.0 109.104 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -63.54 -39.81 95.38 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 88.2 tt0 -60.35 -44.97 95.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.109 -0.995 . . . . 0.0 110.442 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.543 ' N ' ' HH ' ' A' ' 17' ' ' TYR . 6.5 tt -60.09 -49.66 76.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.336 -0.852 . . . . 0.0 110.778 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 40' ' ' LEU . 91.2 mt -60.42 -49.82 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.981 -1.074 . . . . 0.0 109.894 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.21 -40.71 94.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.42 -0.8 . . . . 0.0 111.227 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -85.16 -57.35 3.12 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.821 -1.174 . . . . 0.0 112.023 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -80.11 -70.2 0.54 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.834 -1.166 . . . . 0.0 111.564 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 36' ' ' ILE . 79.9 mt -91.37 86.08 5.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.866 -1.146 . . . . 0.0 110.622 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -136.35 -21.03 1.38 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.675 -0.641 . . . . 0.0 109.364 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.01 -14.72 62.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.235 -0.916 . . . . 0.0 110.305 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -104.19 -18.55 14.45 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.098 -1.001 . . . . 0.0 109.303 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.68 149.88 33.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -159.9 26.55 0.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.69 -1.72 58.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.191 -0.943 . . . . 0.0 110.23 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 47' ' ' ILE . 90.8 mt -94.53 119.4 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -137.9 -28.15 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.529 -0.732 . . . . 0.0 109.286 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -101.44 139.4 37.16 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.37 -0.831 . . . . 0.0 109.185 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.89 -40.13 87.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.93 -1.107 . . . . 0.0 109.605 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -50.28 -32.56 17.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.482 -0.761 . . . . 0.0 108.973 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.35 -37.17 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.899 . . . . 0.0 108.986 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.21 -41.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.484 -0.76 . . . . 0.0 109.087 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.19 -45.43 93.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.457 -0.777 . . . . 0.0 110.72 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.72 -44.94 95.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.1 t -69.25 -40.33 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.507 -0.746 . . . . 0.0 109.336 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.5 ttt -63.16 -41.86 99.33 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.48 -0.763 . . . . 0.0 110.025 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.29 -46.17 90.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 109.186 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -67.95 -39.9 83.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.408 -0.808 . . . . 0.0 108.87 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.81 -45.87 91.98 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.555 -0.716 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -68.29 104.59 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.59 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 tp10 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -92.26 -9.62 41.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.087 -1.008 . . . . 0.0 110.866 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.72 30.92 75.01 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -70.98 -3.41 19.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.138 -1.213 . . . . 0.0 110.521 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.08 71.96 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 120.852 -1.155 . . . . 0.0 110.913 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -140.88 160.46 40.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.315 . . . . 0.0 108.168 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.7 m -104.75 111.58 24.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.923 -1.111 . . . . 0.0 109.747 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.01 -176.97 1.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.978 0.894 . . . . 0.0 110.602 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.63 -49.95 75.47 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.628 0.728 . . . . 0.0 109.85 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -58.85 -52.31 66.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 0.0 109.827 -177.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -60.04 -43.2 95.49 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.706 -1.246 . . . . 0.0 108.129 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -50.08 -39.81 43.62 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.7 mmm -68.1 -28.36 67.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.382 -0.823 . . . . 0.0 109.164 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.77 -56.22 14.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.108 -0.995 . . . . 0.0 108.624 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -51.08 -40.09 57.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.33 -45.12 96.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 81' ' ' THR . 60.1 p -63.56 -44.35 94.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.269 -0.894 . . . . 0.0 109.379 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 83' ' ' ALA . 60.2 ttm -49.41 -42.51 42.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.937 . . . . 0.0 108.988 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.74 -31.14 51.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 78' ' ' SER . 35.8 m -78.31 -47.77 17.08 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -70.96 -14.75 62.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.443 -0.786 . . . . 0.0 109.377 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.41 -40.6 97.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.337 -0.852 . . . . 0.0 109.221 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.263 -0.898 . . . . 0.0 109.004 -179.866 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.71 -35.86 75.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.135 -0.978 . . . . 0.0 110.363 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 2.9 mm? -67.44 -32.85 73.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.588 -1.32 . . . . 0.0 109.796 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.46 -44.58 95.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 109.562 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -60.22 -39.44 86.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.733 . . . . 0.0 110.197 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.52 77.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.26 -0.9 . . . . 0.0 109.822 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.68 -44.74 77.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 109.978 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.53 -40.3 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.11 -0.994 . . . . 0.0 110.099 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.17 95.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 110.248 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.27 -46.2 90.65 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.1 -51.19 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.993 -1.067 . . . . 0.0 109.527 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.05 -40.88 90.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.333 -0.854 . . . . 0.0 109.427 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -41.58 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.204 -0.935 . . . . 0.0 109.507 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -64.19 -58.41 6.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.321 -0.862 . . . . 0.0 110.903 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -59.93 -40.13 87.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.0 -1.062 . . . . 0.0 111.76 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -70.12 -41.04 74.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.367 -1.458 . . . . 0.0 110.184 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.475 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 50.0 t80 -74.76 -41.85 59.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.692 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -70.01 -20.89 63.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.439 -0.788 . . . . 0.0 109.432 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.6 22.06 18.94 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 76.2 ttt-85 -70.96 -40.17 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -1.156 . . . . 0.0 109.482 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -107.96 159.92 16.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.477 -0.764 . . . . 0.0 109.564 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.65 -15.59 0.16 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' B' ' 21' ' ' GLU . 99.2 m-20 -86.05 107.26 17.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.079 -1.248 . . . . 0.0 109.209 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 88.2 tttt -100.08 125.72 46.2 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.239 -0.913 . . . . 0.0 110.566 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 4.7 t-80 77.75 41.69 0.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.539 0.685 . . . . 0.0 109.882 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -160.89 120.22 2.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.4 mm? -97.31 113.82 25.51 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.101 -0.999 . . . . 0.0 110.051 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' B' ' 32' ' ' LEU . 58.5 tttp -87.8 160.36 18.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.643 -0.661 . . . . 0.0 109.453 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -55.83 -49.83 72.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 109.53 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -61.09 -39.69 90.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.945 -1.097 . . . . 0.0 108.343 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -70.02 -31.72 69.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.599 0.714 . . . . 0.0 109.077 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 28' ' ' LYS . 59.9 tp -70.08 -40.17 75.15 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -63.57 -40.23 96.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.07 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 87.7 tt0 -59.97 -45.37 92.9 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.249 -0.907 . . . . 0.0 110.386 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.6 tt -59.96 -49.06 79.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.269 -0.894 . . . . 0.0 110.737 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' B' ' 40' ' ' LEU . 94.1 mt -61.05 -50.09 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.799 -1.188 . . . . 0.0 109.829 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.21 -40.12 92.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 111.265 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -85.61 -57.27 3.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.752 -1.218 . . . . 0.0 112.05 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.9 -70.27 0.53 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 111.594 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' B' ' 36' ' ' ILE . 82.0 mt -91.53 86.26 5.98 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.894 -1.129 . . . . 0.0 110.615 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.6 p -136.45 -21.47 1.34 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.88 -14.69 62.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.286 -0.884 . . . . 0.0 110.475 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.13 -17.4 14.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.123 -0.986 . . . . 0.0 109.308 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 pp -148.75 149.76 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.164 -0.96 . . . . 0.0 109.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -159.9 27.02 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -89.94 -1.86 58.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.296 -0.878 . . . . 0.0 110.285 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.423 HG22 HD12 ' B' ' 47' ' ' ILE . 88.7 mt -94.48 119.83 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.036 . . . . 0.0 109.671 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -138.31 -27.64 0.87 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.483 -0.761 . . . . 0.0 109.291 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -101.67 139.15 37.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.409 -0.807 . . . . 0.0 109.063 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.02 -40.19 88.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.884 -1.135 . . . . 0.0 109.533 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -49.71 -32.53 13.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.489 -0.757 . . . . 0.0 109.026 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.29 -37.41 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 108.777 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.1 -41.34 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.413 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.44 -45.76 92.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.539 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -45.71 93.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.965 -1.084 . . . . 0.0 108.948 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.63 -40.44 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.671 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.2 ttt -63.27 -41.76 99.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 110.04 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 109.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.17 -39.82 82.44 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.25 -47.11 87.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.589 -0.695 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -67.55 104.79 1.66 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.949 . . . . 0.0 110.812 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -60.21 -43.85 95.63 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -91.8 -10.04 41.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.18 -0.95 . . . . 0.0 110.925 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 30.87 74.73 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 40.9 p-10 -70.54 -3.46 18.15 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.183 -1.186 . . . . 0.0 110.386 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.59 -10.18 70.73 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.967 -1.083 . . . . 0.0 111.008 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -140.31 160.65 39.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.934 -1.333 . . . . 0.0 108.199 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -104.77 111.71 24.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.738 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -71.2 -177.16 1.64 Allowed 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.985 0.897 . . . . 0.0 110.646 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.62 -49.87 75.79 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.465 0.65 . . . . 0.0 109.92 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.9 -52.34 66.15 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.813 -177.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -59.94 -43.14 95.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.635 -1.291 . . . . 0.0 108.153 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -50.23 -39.37 44.31 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -68.6 -28.5 66.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 109.223 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -64.69 -56.0 16.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.122 -0.986 . . . . 0.0 108.675 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -51.38 -40.01 58.33 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.42 -45.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 81' ' ' THR . 79.7 p -63.74 -43.81 95.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.405 ' O ' ' N ' ' B' ' 83' ' ' ALA . 60.3 ttm -49.4 -42.08 41.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 108.954 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.05 -31.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 78' ' ' SER . 30.8 m -78.51 -47.12 17.99 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.4 p -71.33 -14.77 62.31 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.238 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -62.84 -40.47 97.54 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 N--CA 1.487 1.408 0 O-C-N 121.338 -0.851 . . . . 0.0 108.881 179.905 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -38.25 81.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.382 -0.824 . . . . 0.0 110.593 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.33 -33.39 74.21 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.011 -1.056 . . . . 0.0 109.49 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.28 -40.46 93.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.95 -1.094 . . . . 0.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -39.9 87.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.6 94.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.292 -0.88 . . . . 0.0 109.177 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.5 ttm -62.73 -51.22 68.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.238 -0.914 . . . . 0.0 109.901 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.1 -40.7 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.576 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.91 93.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.906 -1.121 . . . . 0.0 109.471 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.01 -45.9 91.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.314 -0.867 . . . . 0.0 110.496 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.98 -47.81 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.751 -1.218 . . . . 0.0 108.872 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.27 -40.03 80.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.432 -0.792 . . . . 0.0 109.07 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.36 -41.27 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 0.0 109.88 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.05 -54.98 39.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.793 -1.192 . . . . 0.0 110.383 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.02 -40.55 89.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 112.497 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.86 -39.99 79.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.298 -1.501 . . . . 0.0 110.495 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.8 -41.33 62.51 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 110.072 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -80.06 -21.02 43.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.005 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.61 15.55 60.07 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -87.37 -54.91 4.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.006 -1.291 . . . . 0.0 109.225 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 65.3 mm-40 -150.21 160.09 43.94 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 -158.36 44.43 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.55 137.98 58.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.489 -1.006 . . . . 0.0 109.616 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.68 -40.01 80.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 111.01 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.71 -21.11 15.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.214 . . . . 0.0 111.645 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -107.41 149.68 27.62 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.1 -1.0 . . . . 0.0 110.625 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 2.5 mm? -97.11 125.14 41.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.544 -0.723 . . . . 0.0 110.321 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -84.53 160.18 20.55 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' SER . 1.3 ptpm? -53.36 -42.17 66.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.647 -1.283 . . . . 0.0 109.845 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 91.2 p -64.04 -38.05 89.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 108.982 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 42.4 mt-10 -68.69 -39.74 80.38 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.886 0.85 . . . . 0.0 108.911 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.06 -44.84 79.11 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.33 -40.18 93.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 0.0 109.449 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 86.8 tt0 -60.09 -43.91 95.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.366 -0.834 . . . . 0.0 109.791 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.1 tp -59.94 -43.77 94.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.409 -0.807 . . . . 0.0 109.724 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' LEU . 84.2 mt -60.04 -49.08 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.088 -1.007 . . . . 0.0 110.229 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -60.35 -40.34 90.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.857 . . . . 0.0 111.151 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.682 HD21 ' N ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -91.43 -27.44 18.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.026 -1.046 . . . . 0.0 111.264 -178.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.682 ' N ' HD21 ' A' ' 38' ' ' ASN . 6.1 tp10 -89.99 -76.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.797 -1.189 . . . . 0.0 110.594 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ILE . 9.7 mp -81.59 130.26 34.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 110.293 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 8.2 p -129.75 -58.05 1.1 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.553 -0.717 . . . . 0.0 109.464 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.646 ' H ' ' ND1' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -85.5 -1.96 57.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.936 -1.103 . . . . 0.0 110.438 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -98.38 -1.62 41.12 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.126 -0.984 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -143.35 150.06 38.62 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.272 -0.892 . . . . 0.0 108.815 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.42 -80.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.779 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -171.41 135.89 0.97 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.083 -1.011 . . . . 0.0 109.78 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mm -83.01 108.88 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.385 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -89.61 -74.71 0.47 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.225 -0.922 . . . . 0.0 110.17 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.67 144.24 25.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -68.68 -28.8 67.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.318 -0.864 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.31 -30.09 49.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.186 -0.946 . . . . 0.0 108.731 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.92 -35.2 63.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.16 -41.05 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.568 -0.708 . . . . 0.0 109.173 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 109.224 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.07 -46.67 88.78 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.94 -40.58 89.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.474 -0.766 . . . . 0.0 109.504 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.5 mtp -66.32 -41.93 88.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 110.218 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.154 -0.966 . . . . 0.0 109.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -69.38 -40.01 77.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.423 -0.798 . . . . 0.0 109.353 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.6 -40.81 72.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.687 . . . . 0.0 110.226 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 62.5 t0 -67.32 105.58 1.81 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.296 -0.877 . . . . 0.0 110.277 -178.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.07 -40.06 78.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.457 -0.777 . . . . 0.0 110.146 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 7.4 p-10 -90.1 -10.99 42.63 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.008 -1.057 . . . . 0.0 110.772 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.27 29.54 70.18 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.67 -1.252 . . . . 0.0 110.189 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 p-10 -76.28 -1.7 27.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.041 -1.27 . . . . 0.0 110.012 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.34 3.46 89.86 Favored Glycine 0 N--CA 1.494 2.539 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.843 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -138.62 159.45 42.08 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.145 -1.209 . . . . 0.0 108.136 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -97.97 104.86 16.93 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.866 -1.146 . . . . 0.0 108.759 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.06 169.86 7.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.928 0.87 . . . . 0.0 111.217 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.98 -47.26 86.55 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.457 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 26.4 mp0 -59.1 -55.23 37.67 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.54 -0.864 . . . . 0.0 108.753 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.7 mt-10 -59.99 -44.38 94.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.963 -1.086 . . . . 0.0 108.259 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.35 -38.28 18.84 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.55 -29.34 67.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 108.921 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.93 -55.23 20.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.66 -40.05 62.48 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.72 -45.06 98.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.477 ' HG ' ' N ' ' A' ' 79' ' ' MET . 87.2 p -66.59 -44.57 81.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.3 -0.875 . . . . 0.0 110.121 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 83' ' ' ALA . 67.9 mtt -50.28 -42.99 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.076 -1.015 . . . . 0.0 108.976 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.15 -30.46 47.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 78' ' ' SER . 34.0 m -83.15 -49.21 9.71 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 m -72.09 -19.96 61.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.859 -0.526 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -80.03 -69.91 0.56 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.977 -1.077 . . . . 0.0 109.56 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.6 m . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.323 -0.861 . . . . 0.0 109.002 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.406 0.622 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.01 -37.85 80.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 110.465 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.52 -33.46 74.16 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.026 -1.047 . . . . 0.0 109.45 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.18 -40.35 94.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.155 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.02 -39.95 87.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.705 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.11 93.78 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.255 -0.903 . . . . 0.0 109.073 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.1 ttm -62.53 -51.2 68.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.13 -0.982 . . . . 0.0 110.04 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.02 -40.54 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.362 -0.836 . . . . 0.0 110.485 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.911 -1.118 . . . . 0.0 109.472 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -45.86 91.37 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.857 . . . . 0.0 110.45 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.03 -47.7 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.673 -1.267 . . . . 0.0 108.938 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.22 -40.1 80.8 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.049 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.58 -41.03 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 0.0 109.846 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.03 -55.09 38.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.685 -1.259 . . . . 0.0 110.317 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.05 -40.51 89.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 112.488 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.71 -40.05 80.16 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.306 -1.496 . . . . 0.0 110.629 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.99 -41.34 62.08 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.109 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -80.05 -21.05 43.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.93 -1.106 . . . . 0.0 111.01 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.54 15.63 59.76 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -87.5 -54.42 4.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.965 -1.315 . . . . 0.0 109.254 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 65.0 mm-40 -150.53 159.94 44.14 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.54 -158.54 45.4 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.96 138.22 58.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -1.054 . . . . 0.0 109.637 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -69.0 -39.93 79.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.348 -0.845 . . . . 0.0 110.871 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -100.76 -20.78 15.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.802 -1.186 . . . . 0.0 111.708 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.73 149.54 28.04 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.03 -1.044 . . . . 0.0 110.647 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 2.8 mm? -96.94 125.43 41.37 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.566 -0.709 . . . . 0.0 110.18 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.09 160.12 20.04 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 30' ' ' SER . 1.3 ptpm? -53.29 -42.38 66.53 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.634 -1.291 . . . . 0.0 109.847 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 96.0 p -63.8 -38.11 89.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.111 -0.993 . . . . 0.0 108.931 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' B' ' 21' ' ' GLU . 43.4 mt-10 -68.74 -39.7 80.19 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.912 0.863 . . . . 0.0 108.963 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tt -67.2 -44.2 80.18 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.349 0.595 . . . . 0.0 109.405 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.85 -40.25 94.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.312 -0.867 . . . . 0.0 109.408 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 87.0 tt0 -60.08 -43.76 95.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.455 -0.778 . . . . 0.0 109.796 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 32.4 tp -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.288 -0.883 . . . . 0.0 109.638 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.402 HD12 HG21 ' B' ' 36' ' ' ILE . 85.8 mt -59.94 -48.75 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 110.292 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.38 -40.58 91.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.362 -0.836 . . . . 0.0 111.202 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.664 HD21 ' N ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -91.35 -27.5 18.33 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.054 -1.029 . . . . 0.0 111.234 -178.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.664 ' N ' HD21 ' B' ' 38' ' ' ASN . 6.1 tp10 -90.02 -76.8 0.41 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.836 -1.165 . . . . 0.0 110.572 -178.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.68 130.41 35.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.237 -0.915 . . . . 0.0 110.184 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 13.2 p -130.0 -57.76 1.09 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.52 -0.737 . . . . 0.0 109.43 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.664 ' H ' ' ND1' ' B' ' 42' ' ' HIS . 0.0 OUTLIER -85.09 -2.24 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.912 -1.117 . . . . 0.0 110.393 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -98.26 -1.59 41.55 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.007 -1.058 . . . . 0.0 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.45 150.0 38.38 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.254 -0.904 . . . . 0.0 108.886 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.17 -80.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 109.86 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -171.08 136.19 1.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 109.814 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.36 108.78 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.86 -74.97 0.46 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 110.007 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.48 144.13 25.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.029 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.76 -28.53 66.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.267 -0.896 . . . . 0.0 109.189 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.48 -29.97 51.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.08 -1.012 . . . . 0.0 108.822 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.98 -35.05 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.13 -41.16 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.568 -0.708 . . . . 0.0 109.286 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.335 -0.853 . . . . 0.0 109.143 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.0 -46.8 88.28 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.96 -40.34 88.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.535 -0.728 . . . . 0.0 109.553 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mtp -66.46 -42.04 88.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.325 -0.859 . . . . 0.0 110.113 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.75 -46.25 91.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 109.222 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -69.28 -40.01 78.03 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.34 -42.06 72.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.583 -0.698 . . . . 0.0 110.183 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 62.8 t0 -66.79 105.79 1.68 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.155 -0.966 . . . . 0.0 110.357 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.99 -39.95 79.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.286 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 7.6 p-10 -90.11 -10.92 42.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.093 -1.004 . . . . 0.0 110.796 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 70.19 29.32 70.5 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 119.66 -1.257 . . . . 0.0 110.251 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.5 p-10 -76.01 -2.24 29.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.0 -1.294 . . . . 0.0 109.935 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.0 4.75 89.7 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.278 -0.963 . . . . 0.0 110.823 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -139.07 159.29 42.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.135 -1.215 . . . . 0.0 107.929 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.2 t -97.84 104.87 16.93 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.825 -1.172 . . . . 0.0 108.684 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.37 170.32 7.53 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 122.007 0.908 . . . . 0.0 111.206 -178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.96 -47.17 86.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.444 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 26.5 mp0 -59.12 -55.3 36.81 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.815 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.1 mt-10 -60.0 -44.48 94.53 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -48.56 -37.89 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.9 tpt -68.98 -28.81 66.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.335 -0.853 . . . . 0.0 109.078 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.5 -54.83 22.73 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -52.96 -39.91 63.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.61 -45.1 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.534 ' HG ' ' H ' ' B' ' 79' ' ' MET . 84.2 p -66.4 -44.76 82.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.324 -0.86 . . . . 0.0 110.048 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.534 ' H ' ' HG ' ' B' ' 78' ' ' SER . 68.4 mtt -50.44 -42.99 54.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.149 -0.969 . . . . 0.0 108.989 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.18 -30.22 47.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' B' ' 78' ' ' SER . 36.3 m -83.15 -49.39 9.53 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -71.98 -20.02 61.79 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.781 -0.574 . . . . 0.0 110.821 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -79.93 -70.09 0.54 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.505 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.301 -1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 109.006 -179.739 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.304 0.573 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.86 -37.63 79.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.41 -0.806 . . . . 0.0 110.412 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.98 -32.43 70.64 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.818 -1.176 . . . . 0.0 109.581 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -61.13 -41.94 97.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.01 -38.94 84.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.568 -0.708 . . . . 0.0 110.051 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.76 95.21 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.97 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.518 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 36.7 tpp -61.37 -50.02 74.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.498 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -40.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.505 -0.747 . . . . 0.0 110.265 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.4 92.32 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.873 -1.142 . . . . 0.0 109.173 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.87 -48.22 82.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 110.075 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.94 -52.23 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.881 -1.137 . . . . 0.0 109.914 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.04 -39.9 87.52 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.13 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.01 -41.55 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.589 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.63 -56.71 15.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.971 -1.08 . . . . 0.0 110.343 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -42.94 95.27 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.563 -0.71 . . . . 0.0 112.16 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.04 -41.1 74.67 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.29 -1.506 . . . . 0.0 110.149 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.3 t80 -71.77 -48.69 44.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.52 -0.737 . . . . 0.0 109.656 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.6 p -70.22 -20.15 63.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.478 -0.763 . . . . 0.0 110.225 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.33 19.84 33.46 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -86.23 -51.38 6.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.846 -1.385 . . . . 0.0 108.979 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -140.81 148.17 40.17 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.27 179.76 20.6 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -62.01 -59.88 4.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.939 -1.33 . . . . 0.0 109.484 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -171.86 -64.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.103 -0.998 . . . . 0.0 111.103 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.41 ' HD1' ' C ' ' A' ' 25' ' ' HIS . 3.7 p80 -110.9 17.05 20.9 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.084 -1.01 . . . . 0.0 111.071 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -107.9 129.31 55.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.17 -0.956 . . . . 0.0 109.107 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.0 mt -102.42 127.35 49.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.379 -0.826 . . . . 0.0 109.87 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -95.35 167.1 11.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.471 -0.768 . . . . 0.0 109.091 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -56.72 -41.04 76.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.891 -1.131 . . . . 0.0 110.149 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.2 p -63.94 -35.05 79.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.909 -1.12 . . . . 0.0 108.812 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.97 -31.76 69.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.614 -0.679 . . . . 0.0 109.253 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.85 -40.49 75.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -0.8 . . . . 0.0 109.722 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.59 -40.13 93.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.266 -0.896 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.01 -46.21 90.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 109.932 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.553 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 62.9 tp -60.19 -46.33 90.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.572 -0.705 . . . . 0.0 109.846 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -61.16 -42.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.108 -0.995 . . . . 0.0 109.528 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -69.9 -39.93 75.91 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.889 -1.132 . . . . 0.0 111.015 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -76.1 -58.02 3.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.89 -1.131 . . . . 0.0 112.61 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -84.4 -95.98 0.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.854 -1.153 . . . . 0.0 112.927 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 36' ' ' ILE . 80.5 mt -61.42 129.37 40.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.296 -0.877 . . . . 0.0 110.907 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -147.7 -49.8 0.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.154 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.83 -19.96 62.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.48 -0.763 . . . . 0.0 109.999 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -99.3 1.13 44.28 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.21 -0.931 . . . . 0.0 110.184 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.3 mt -133.01 151.43 52.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.302 -0.874 . . . . 0.0 109.407 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -77.08 144.7 38.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -63.9 139.52 58.78 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.977 -1.077 . . . . 0.0 109.146 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -97.94 121.07 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.526 -0.734 . . . . 0.0 109.569 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -103.26 -28.24 12.0 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.352 -0.843 . . . . 0.0 110.151 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -121.45 134.14 55.08 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.268 -0.895 . . . . 0.0 110.394 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' VAL . 9.7 mp0 -60.6 -39.26 87.46 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 109.866 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -45.93 -32.22 2.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.485 -0.759 . . . . 0.0 109.075 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.13 -32.9 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.353 -0.842 . . . . 0.0 108.785 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' GLN . 94.9 t -68.49 -41.04 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.541 -0.725 . . . . 0.0 109.218 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.74 . . . . 0.0 109.718 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.86 -42.17 98.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 108.788 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.9 -41.75 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.733 . . . . 0.0 110.308 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.5 mmm -62.66 -41.82 99.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.201 -0.937 . . . . 0.0 110.124 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.14 -43.96 95.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.192 -0.943 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.11 75.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.47 -0.769 . . . . 0.0 110.565 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 tp -70.6 -43.46 69.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.079 -1.013 . . . . 0.0 111.713 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -67.43 103.98 1.43 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.925 -1.11 . . . . 0.0 110.538 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.64 -40.06 95.92 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.461 -0.774 . . . . 0.0 110.157 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.93 59.42 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.918 -1.134 . . . . 0.0 110.611 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -79.92 -2.99 46.2 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.98 -1.306 . . . . 0.0 111.008 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 5.54 85.27 Favored Glycine 0 N--CA 1.497 2.735 0 O-C-N 120.761 -1.212 . . . . 0.0 111.347 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -139.87 161.05 38.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.923 -1.339 . . . . 0.0 107.981 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.23 108.25 19.2 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -75.54 -178.5 4.14 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.004 0.907 . . . . 0.0 110.81 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.71 -48.9 79.71 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.387 0.613 . . . . 0.0 110.159 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? -60.05 -56.54 20.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 109.988 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 75' ' ' ALA . 99.3 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.657 -1.277 . . . . 0.0 108.301 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -45.96 -40.78 10.8 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.481 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 75.9 mtp -70.43 -28.87 65.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' SER . . . -63.21 -59.94 4.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.838 -1.163 . . . . 0.0 109.056 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -49.62 -39.92 37.44 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.15 -40.07 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' ALA . 22.9 t -72.75 -50.18 26.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.455 -0.778 . . . . 0.0 110.86 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.6 ttp -53.98 -40.36 66.82 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.706 -1.246 . . . . 0.0 109.538 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -70.06 -27.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.302 -0.874 . . . . 0.0 108.66 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.491 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 38.8 m -68.84 -44.18 73.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.53 -0.731 . . . . 0.0 109.143 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.6 m -68.41 -54.14 19.1 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.89 -41.5 11.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 109.567 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.932 . . . . 0.0 109.279 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.382 0.61 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -37.49 79.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.415 -0.803 . . . . 0.0 110.45 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -70.05 -32.51 70.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.824 -1.173 . . . . 0.0 109.407 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.93 . . . . 0.0 109.421 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.2 -38.71 84.16 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.643 -0.661 . . . . 0.0 109.836 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.35 94.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 108.91 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.491 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 35.3 tpp -61.81 -49.99 74.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.938 . . . . 0.0 109.49 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.03 -40.04 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 110.139 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.53 91.8 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.855 -1.153 . . . . 0.0 109.275 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.96 -48.49 81.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.312 -0.868 . . . . 0.0 110.029 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.1 -51.87 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.85 -1.156 . . . . 0.0 109.87 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.99 -40.06 87.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 109.134 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.01 -41.52 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.808 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.88 -56.7 14.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.026 -1.046 . . . . 0.0 110.349 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -60.03 -43.01 95.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.402 -0.811 . . . . 0.0 112.185 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -69.94 -40.93 75.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.275 -1.516 . . . . 0.0 110.314 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.549 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 58.4 t80 -72.16 -48.46 43.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.675 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.25 -20.29 63.08 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.763 . . . . 0.0 110.113 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.35 20.13 32.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -85.95 -51.39 6.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.859 -1.377 . . . . 0.0 109.124 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -141.05 148.23 39.89 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.56 179.48 20.51 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.0 -60.04 4.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.979 -1.307 . . . . 0.0 109.427 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -171.5 -64.91 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.025 -1.047 . . . . 0.0 111.202 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.418 ' HD1' ' C ' ' B' ' 25' ' ' HIS . 3.4 p80 -110.77 16.94 21.07 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.085 -1.009 . . . . 0.0 111.128 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -107.88 129.13 55.1 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.198 -0.939 . . . . 0.0 109.269 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -102.4 127.01 49.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.345 -0.847 . . . . 0.0 109.942 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -95.5 166.93 11.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.457 -0.777 . . . . 0.0 109.24 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.405 ' NZ ' ' OD1' ' B' ' 54' ' ' ASP . 32.0 ttpt -56.59 -41.07 76.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.002 -1.061 . . . . 0.0 110.178 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -63.79 -35.36 80.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.893 -1.129 . . . . 0.0 108.83 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.06 -31.52 69.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.86 -40.75 75.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 109.646 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -61.49 -40.28 93.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.238 -0.914 . . . . 0.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.84 -46.32 89.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.254 -0.904 . . . . 0.0 109.981 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.549 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.7 tp -60.47 -45.67 92.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.461 -0.775 . . . . 0.0 110.047 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -61.55 -42.47 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -69.74 -40.05 76.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.016 -1.053 . . . . 0.0 110.938 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -76.26 -57.9 3.6 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.954 -1.092 . . . . 0.0 112.602 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -84.43 -96.18 0.06 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.805 -1.184 . . . . 0.0 112.751 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' B' ' 36' ' ' ILE . 76.8 mt -61.33 129.28 40.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.233 -0.917 . . . . 0.0 110.958 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -147.43 -49.75 0.18 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 0.0 109.101 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.74 -20.02 62.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.444 -0.785 . . . . 0.0 109.971 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -99.15 0.77 44.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.174 -0.954 . . . . 0.0 110.124 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 78.7 mt -132.35 151.16 51.97 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.353 -0.842 . . . . 0.0 109.476 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -77.01 144.59 38.57 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.86 139.7 58.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 109.173 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 94.0 mt -98.19 121.22 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.433 -0.792 . . . . 0.0 109.57 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -103.55 -28.35 11.8 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.374 -0.829 . . . . 0.0 110.213 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -120.88 134.43 55.29 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.267 -0.895 . . . . 0.0 110.456 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 9.7 mp0 -61.13 -38.76 87.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.443 -0.786 . . . . 0.0 109.855 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -46.1 -32.19 2.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.549 -0.72 . . . . 0.0 109.182 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.07 -32.89 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 108.854 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 94.8 t -68.29 -41.19 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.222 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.405 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 96.4 m-20 -60.14 -40.15 88.81 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.456 -0.778 . . . . 0.0 109.734 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.8 -42.38 98.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.63 -41.86 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.605 -0.684 . . . . 0.0 110.409 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 90.5 mmm -62.73 -42.02 99.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -0.9 . . . . 0.0 110.126 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.08 -43.95 95.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.304 -0.872 . . . . 0.0 108.657 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -69.99 -40.14 75.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.78 . . . . 0.0 110.722 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.7 tp -70.17 -44.7 68.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.177 -0.952 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -66.36 103.68 1.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 110.729 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.12 -40.36 97.39 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.404 -0.81 . . . . 0.0 108.836 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.101 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.84 32.01 59.51 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.976 -1.107 . . . . 0.0 110.582 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -79.97 -2.93 46.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.968 -1.313 . . . . 0.0 111.02 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.57 5.29 85.91 Favored Glycine 0 N--CA 1.495 2.629 0 O-C-N 120.77 -1.206 . . . . 0.0 111.327 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -140.07 160.89 38.92 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.962 -1.316 . . . . 0.0 107.932 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 84.0 m -108.01 108.33 19.4 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.853 -1.154 . . . . 0.0 109.304 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -75.75 -178.48 4.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.908 0.861 . . . . 0.0 110.851 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.62 -48.86 79.92 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.416 0.627 . . . . 0.0 110.067 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -59.91 -56.66 19.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 110.076 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.72 -1.237 . . . . 0.0 108.281 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -45.83 -40.75 10.24 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.487 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 73.9 mtp -70.38 -29.28 65.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.325 -0.859 . . . . 0.0 109.589 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 78' ' ' SER . . . -63.15 -60.04 3.96 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.913 -1.117 . . . . 0.0 109.019 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -49.51 -40.05 36.39 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.02 -40.05 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.492 ' N ' ' O ' ' B' ' 75' ' ' ALA . 21.1 t -72.5 -50.32 26.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.483 -0.761 . . . . 0.0 110.92 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 50.6 ttp -54.34 -40.22 67.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.669 -1.269 . . . . 0.0 109.551 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.96 -27.83 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.518 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 33.4 m -68.89 -44.02 74.08 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.555 -0.716 . . . . 0.0 109.272 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -68.51 -53.96 19.86 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -41.54 11.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.52 -0.738 . . . . 0.0 109.687 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.336 -179.775 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.525 0.678 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -34.74 77.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.415 -0.803 . . . . 0.0 110.968 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -70.09 -34.45 73.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.104 . . . . 0.0 109.316 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.71 -41.8 98.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.401 -0.812 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.39 -39.87 88.86 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.098 -1.001 . . . . 0.0 109.369 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.33 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.956 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.546 ' CG ' ' HG1' ' B' ' 81' ' ' THR . 47.9 ttm -59.89 -50.53 73.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.381 -0.824 . . . . 0.0 109.169 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.2 t -57.89 -37.72 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.512 -0.742 . . . . 0.0 109.288 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.74 93.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.711 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.19 -48.36 82.06 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.115 -0.991 . . . . 0.0 110.803 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.36 -50.25 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.669 -1.269 . . . . 0.0 109.319 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -59.94 -42.93 95.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.307 -0.871 . . . . 0.0 109.209 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.71 -39.92 76.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.558 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.93 -57.94 5.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.076 . . . . 0.0 110.456 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -59.93 -40.29 88.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.961 . . . . 0.0 111.436 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -69.6 -39.87 76.99 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.267 -1.521 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.481 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 41.4 t80 -75.78 -46.38 31.02 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.325 -0.859 . . . . 0.0 110.35 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -73.1 -21.47 60.75 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.026 -1.046 . . . . 0.0 110.446 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.58 23.34 13.05 Favored Glycine 0 N--CA 1.496 2.654 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.624 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 mtm105 -83.53 -41.75 17.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.922 -1.34 . . . . 0.0 109.803 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.1 tt0 -176.74 151.79 0.93 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 91.8 64.68 1.14 Allowed Glycine 0 N--CA 1.499 2.9 0 C-N-CA 119.744 -1.217 . . . . 0.0 111.659 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' GLY . 94.4 m-20 54.96 100.16 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.144 -1.209 . . . . 0.0 109.481 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 8.3 mtpm? -53.74 137.66 37.24 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 109.226 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 8.4 t60 76.42 42.53 0.17 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.447 0.641 . . . . 0.0 109.937 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -161.09 123.99 3.21 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 4.1 mm? -95.99 115.71 27.84 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.714 -1.241 . . . . 0.0 110.526 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.93 166.56 12.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.621 -0.674 . . . . 0.0 109.303 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.58 -40.0 68.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.23 -0.919 . . . . 0.0 110.376 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -68.14 -33.95 75.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.921 -1.112 . . . . 0.0 110.113 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 73.4 mt-10 -69.95 -30.23 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.62 -39.88 73.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.455 0.645 . . . . 0.0 109.909 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -63.97 -42.81 97.14 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.37 -45.4 72.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.159 -0.963 . . . . 0.0 109.574 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 41.7 tp -60.31 -49.98 75.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 109.385 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.43 -49.95 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.609 -0.682 . . . . 0.0 110.105 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.19 -40.8 97.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.534 -0.729 . . . . 0.0 110.539 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -85.3 -31.49 23.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.228 -0.92 . . . . 0.0 110.707 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' LEU . 38.6 tp10 -84.7 -76.45 0.31 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.303 -0.873 . . . . 0.0 111.198 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.59 129.85 39.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.004 -1.06 . . . . 0.0 109.596 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -117.54 -72.51 0.68 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.451 -0.78 . . . . 0.0 109.161 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.621 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 13.8 p80 -91.54 6.31 46.13 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.009 -1.057 . . . . 0.0 109.091 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.621 ' CZ ' ' CE1' ' A' ' 42' ' ' HIS . 66.2 m-85 -98.79 -3.12 36.32 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.84 137.26 37.96 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.98 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.941 -1.099 . . . . 0.0 109.325 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -160.31 119.94 2.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.855 -1.153 . . . . 0.0 109.113 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.6 mt -97.64 118.79 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.227 -0.921 . . . . 0.0 109.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.21 -23.55 12.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.681 -0.637 . . . . 0.0 109.574 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -108.67 136.55 48.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.353 -0.842 . . . . 0.0 110.507 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.16 -31.05 69.44 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 109.526 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -57.17 -30.55 64.6 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.513 -0.742 . . . . 0.0 109.085 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.3 t -68.6 -34.01 62.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.5 t -69.74 -41.76 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.15 89.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.58 -50.07 75.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 108.804 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.8 -40.97 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.694 -0.629 . . . . 0.0 109.426 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.445 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 1.4 tpt -59.97 -43.17 95.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -60.49 -40.18 90.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.112 -0.993 . . . . 0.0 108.608 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -66.1 -39.97 90.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.488 -0.757 . . . . 0.0 109.422 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.2 -40.29 74.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.252 -0.905 . . . . 0.0 109.667 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 56.1 t0 -70.15 89.43 0.64 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 110.717 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.96 -25.1 63.47 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.218 -0.926 . . . . 0.0 108.876 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.49 -10.54 34.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.408 -0.807 . . . . 0.0 110.984 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.51 18.51 71.86 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 88.7 m-20 -68.11 -9.71 48.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.453 -1.028 . . . . 0.0 110.107 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 86.21 -17.69 36.47 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -129.8 164.97 22.93 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.322 -1.105 . . . . 0.0 109.145 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.445 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 82.4 m -103.52 109.33 20.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.147 -0.971 . . . . 0.0 109.583 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.2 t70 -69.8 177.14 3.2 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.998 0.904 . . . . 0.0 111.122 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.532 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.7 t80 -60.25 -48.55 81.28 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.7 -54.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 75' ' ' ALA . 41.1 mt-10 -60.02 -46.71 88.61 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.116 -0.99 . . . . 0.0 108.353 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -45.23 -38.82 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.7 tpp -67.68 -27.8 67.15 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.343 -0.848 . . . . 0.0 109.059 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -59.97 -57.5 12.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.223 -0.923 . . . . 0.0 108.623 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -55.54 -39.6 70.78 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.18 -44.91 96.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.7 p -66.72 -42.84 85.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.02 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.51 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -56.22 -42.53 77.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.193 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.52 -31.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.125 -0.984 . . . . 0.0 108.663 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.6 m -80.56 -48.62 12.46 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.794 0.807 . . . . 0.0 108.956 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -72.3 -17.57 61.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.679 -0.638 . . . . 0.0 110.264 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -76.06 -41.78 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.004 -1.06 . . . . 0.0 109.725 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 92.4 m . . . . . 0 N--CA 1.496 1.869 0 O-C-N 121.259 -0.901 . . . . 0.0 110.591 -178.753 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.391 0.615 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.67 -33.77 76.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.517 -0.739 . . . . 0.0 110.639 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.5 tp -70.11 -34.2 72.81 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.059 -1.025 . . . . 0.0 109.232 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.72 -42.24 98.68 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.898 . . . . 0.0 109.464 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.97 -40.13 88.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.241 -0.912 . . . . 0.0 109.19 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.59 73.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.9 ttm -60.59 -50.91 71.65 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.885 0.85 . . . . 0.0 109.424 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.69 -37.9 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.62 -0.675 . . . . 0.0 109.299 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.05 93.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.079 -1.013 . . . . 0.0 109.931 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.56 -48.4 81.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.266 -0.896 . . . . 0.0 110.414 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.425 HD13 HG23 ' B' ' 11' ' ' ILE . 95.1 mt -60.13 -50.28 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.854 -1.154 . . . . 0.0 109.743 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.07 -43.02 95.74 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.165 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.41 -39.94 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.479 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -66.96 -58.08 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.964 -1.085 . . . . 0.0 110.558 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -60.09 -39.99 88.07 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.199 -0.938 . . . . 0.0 111.585 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -69.62 -39.61 77.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.267 -1.52 . . . . 0.0 109.693 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 42.3 t80 -75.83 -46.89 28.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.203 -0.936 . . . . 0.0 110.39 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.3 t -72.76 -21.33 61.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.56 23.22 13.28 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 121.016 -1.053 . . . . 0.0 110.587 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtm105 -83.0 -41.89 18.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.957 -1.319 . . . . 0.0 109.947 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.1 tt0 -176.91 151.68 0.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.638 -0.664 . . . . 0.0 109.735 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 91.73 66.04 1.14 Allowed Glycine 0 N--CA 1.499 2.871 0 O-C-N 120.947 -1.096 . . . . 0.0 111.511 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 22' ' ' GLY . 94.4 m-20 54.09 101.56 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.173 . . . . 0.0 109.533 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 9.0 mtpm? -54.43 137.69 41.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.331 -0.855 . . . . 0.0 109.28 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 8.6 t60 76.01 43.95 0.15 Allowed 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.463 0.649 . . . . 0.0 109.659 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -162.1 124.16 2.82 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.9 mm? -96.45 114.73 26.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.194 . . . . 0.0 110.546 -178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.17 166.26 12.42 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -54.13 -40.03 67.02 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.205 -0.934 . . . . 0.0 110.473 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -68.2 -33.88 75.24 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.987 -1.07 . . . . 0.0 110.258 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 72.4 mt-10 -69.84 -30.36 67.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 108.769 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.12 -39.89 71.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.696 -0.627 . . . . 0.0 109.926 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -63.75 -41.67 97.96 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.356 -0.84 . . . . 0.0 109.586 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -45.1 69.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.207 -0.933 . . . . 0.0 109.493 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.502 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 45.9 tp -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.362 -0.837 . . . . 0.0 109.524 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -61.4 -50.16 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.487 -0.758 . . . . 0.0 110.343 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.04 -40.34 95.41 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.761 . . . . 0.0 110.621 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -84.68 -33.13 23.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.275 -0.891 . . . . 0.0 110.489 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 35' ' ' LEU . 36.8 tp10 -83.89 -77.04 0.27 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.427 -0.796 . . . . 0.0 111.421 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -70.89 128.93 37.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 109.747 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 78.5 p -116.32 -72.97 0.66 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.454 -0.779 . . . . 0.0 109.151 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.613 ' NE2' ' CE2' ' B' ' 43' ' ' PHE . 12.6 p80 -91.08 6.72 43.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 109.332 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.613 ' CE2' ' NE2' ' B' ' 42' ' ' HIS . 66.3 m-85 -99.2 -2.63 36.25 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.87 137.44 38.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.07 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -160.01 119.84 2.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.008 -1.057 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.4 mt -97.87 118.09 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.116 -0.99 . . . . 0.0 109.447 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.547 ' CB ' ' HZ2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -106.69 -23.06 12.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.475 -0.766 . . . . 0.0 109.47 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.94 136.7 48.04 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.329 -0.857 . . . . 0.0 110.559 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.02 -31.59 70.5 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.612 0.72 . . . . 0.0 109.448 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -56.21 -30.9 62.94 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.571 -0.706 . . . . 0.0 109.195 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -68.92 -33.81 61.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.89 -41.74 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.53 -40.44 91.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 0.0 109.706 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.43 -49.93 75.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.194 -0.941 . . . . 0.0 108.597 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.62 -41.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.609 -0.682 . . . . 0.0 109.725 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.425 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 1.7 tpt -60.08 -42.51 94.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.318 -0.864 . . . . 0.0 110.187 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.5 -40.29 94.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.076 -1.015 . . . . 0.0 108.655 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -65.51 -39.8 92.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.51 -0.744 . . . . 0.0 109.476 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.35 -41.38 73.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.469 -0.769 . . . . 0.0 109.614 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 55.6 t0 -69.26 89.75 0.48 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.093 -1.004 . . . . 0.0 110.72 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.0 -24.6 63.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 108.911 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.03 -10.06 34.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.33 -0.856 . . . . 0.0 110.929 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.87 17.49 71.49 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.513 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 87.6 m-20 -68.13 -9.2 44.76 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.332 -1.099 . . . . 0.0 110.083 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.465 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.99 -16.12 39.49 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -130.24 164.97 23.38 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.305 -1.115 . . . . 0.0 108.993 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 93.1 m -103.57 108.9 20.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.16 -0.962 . . . . 0.0 109.497 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.0 t70 -69.79 177.59 3.0 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.887 0.851 . . . . 0.0 111.112 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 63.0 t80 -60.25 -49.01 79.31 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.66 0.743 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -59.57 -54.0 51.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.438 -0.789 . . . . 0.0 109.252 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' B' ' 75' ' ' ALA . 41.0 mt-10 -60.02 -46.68 88.7 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.052 -1.03 . . . . 0.0 108.384 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -45.03 -38.05 4.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 52.6 tpp -68.36 -27.93 66.69 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.381 -0.824 . . . . 0.0 109.166 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.04 -56.9 15.99 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -56.21 -39.49 72.55 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.34 -44.41 95.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.2 p -67.11 -43.12 83.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 110.055 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.508 ' O ' ' N ' ' B' ' 83' ' ' ALA . 28.0 ttt -56.47 -41.68 76.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.461 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.0 -31.35 49.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.15 -0.969 . . . . 0.0 108.456 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.546 ' HG1' ' CG ' ' A' ' 7' ' ' MET . 25.5 m -80.65 -49.62 11.0 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.721 0.772 . . . . 0.0 108.99 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -71.65 -17.34 62.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.809 -0.557 . . . . 0.0 110.199 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.94 -42.57 48.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.2 m . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.447 -0.783 . . . . 0.0 110.941 -178.716 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.451 ' HG ' ' H ' ' A' ' 3' ' ' LEU . 3.3 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.95 -35.11 74.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.231 -0.918 . . . . 0.0 110.003 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' A' ' 1' ' ' SER . 71.2 mt -70.0 -32.78 71.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.116 . . . . 0.0 110.718 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -62.61 -45.64 91.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.799 -1.188 . . . . 0.0 109.622 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -61.43 -38.05 85.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.312 -0.868 . . . . 0.0 110.685 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.17 -48.48 81.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.513 -178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.4 -43.14 86.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.015 -1.053 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.014 -1.054 . . . . 0.0 110.118 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.19 -44.47 96.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.079 -1.013 . . . . 0.0 109.681 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.433 HG23 HD13 ' A' ' 11' ' ' ILE . 81.4 mt -60.09 -51.31 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.798 -1.189 . . . . 0.0 109.772 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.99 -43.84 94.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.128 -0.982 . . . . 0.0 109.196 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -39.92 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -0.795 . . . . 0.0 109.869 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -64.14 -59.94 3.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -61.31 -40.88 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.98 -1.075 . . . . 0.0 112.043 -177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -70.1 -41.33 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.185 -1.572 . . . . 0.0 109.468 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.7 t80 -73.07 -44.01 61.15 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.588 0.708 . . . . 0.0 109.232 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -73.11 -23.13 60.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.698 -0.626 . . . . 0.0 110.349 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.37 23.4 15.63 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -83.48 -44.19 14.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.973 -1.31 . . . . 0.0 108.746 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -148.83 156.0 41.72 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.331 -0.856 . . . . 0.0 109.712 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.89 -171.7 55.15 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -80.32 150.27 29.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -1.049 . . . . 0.0 109.608 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 68.1 mttm -74.1 136.29 42.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 0.0 109.987 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 27.1 t-80 93.73 -15.29 0.12 Allowed 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 123.135 0.574 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.52 116.31 31.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.235 -0.916 . . . . 0.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -94.78 120.07 34.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.11 -0.994 . . . . 0.0 109.443 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -91.04 163.22 14.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.566 -0.708 . . . . 0.0 109.312 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.0 -44.89 83.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.076 -1.015 . . . . 0.0 110.268 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 t -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.853 -1.155 . . . . 0.0 108.705 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.14 -36.08 79.12 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -69.99 -41.21 74.71 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.906 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.9 -40.0 96.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.253 -0.904 . . . . 0.0 109.536 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.95 -43.54 94.96 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.839 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.525 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 64.0 tp -59.93 -41.69 92.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 0.0 109.765 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.416 HD12 HG23 ' A' ' 36' ' ' ILE . 96.5 mt -67.66 -40.1 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.0 109.698 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -80.03 -19.84 46.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.544 -0.723 . . . . 0.0 110.754 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -57.89 -56.95 15.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 111.616 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.99 -6.16 0.68 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.649 -1.282 . . . . 0.0 110.278 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -90.74 123.02 33.99 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.93 -1.106 . . . . 0.0 109.171 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -159.64 -28.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.249 -0.907 . . . . 0.0 110.087 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -68.92 -24.43 64.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.136 -0.977 . . . . 0.0 109.493 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -99.38 -17.37 18.03 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.393 -0.817 . . . . 0.0 109.85 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.0 mt -140.22 110.82 6.76 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' GLU . 86.0 tt0 -109.83 -29.04 8.48 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.409 -0.807 . . . . 0.0 109.442 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' GLU . 78.4 mm-40 -61.03 -129.68 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.351 -0.843 . . . . 0.0 109.717 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.2 mt 49.02 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.072 -1.018 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -103.77 -16.39 15.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.268 -0.895 . . . . 0.0 109.159 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -123.12 144.93 49.0 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -59.97 -35.42 74.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.042 -1.036 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -54.34 -30.27 50.94 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.032 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.31 -33.71 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.0 108.722 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.48 -42.42 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.37 -0.831 . . . . 0.0 108.854 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 48.0 t0 -60.05 -42.67 94.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.015 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.72 -42.63 97.64 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.15 -0.969 . . . . 0.0 108.659 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.24 -39.93 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.489 -0.757 . . . . 0.0 109.103 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 96.0 mmm -65.25 -40.7 94.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.752 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -61.0 -48.02 83.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.178 -0.951 . . . . 0.0 109.53 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -68.86 -40.19 79.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.2 tp -72.12 -40.08 68.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.487 -0.758 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' MET . 45.3 t0 -80.73 54.63 2.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 110.746 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.26 -38.91 84.97 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 2.9 p-10 -59.65 -34.77 73.25 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.957 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 87.79 87.88 1.13 Allowed Glycine 0 N--CA 1.488 2.118 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 82.2 m-20 -147.17 -30.08 0.35 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.558 -0.966 . . . . 0.0 110.855 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.42 -13.78 61.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -137.35 160.5 38.9 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 t -100.78 107.14 18.64 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.762 -1.212 . . . . 0.0 109.437 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 173.01 4.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 111.111 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.07 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.454 HE21 ' CG2' ' B' ' 82' ' ' THR . 26.2 mp0 -58.38 -52.82 64.01 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.757 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 75' ' ' ALA . 82.1 mt-10 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -47.25 -39.2 13.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -69.72 -25.78 64.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.306 -0.871 . . . . 0.0 108.816 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -66.3 -56.4 11.34 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.04 -39.18 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.06 -45.48 95.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -65.9 -42.13 90.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.487 -0.758 . . . . 0.0 109.602 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 83' ' ' ALA . 64.9 mmm -55.72 -41.24 73.58 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.742 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.6 m -84.45 -49.95 8.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.625 0.726 . . . . 0.0 109.437 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.473 ' CG2' HE21 ' B' ' 71' ' ' GLN . 4.2 m -70.89 -19.15 62.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.668 -0.645 . . . . 0.0 110.091 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -75.53 -40.64 56.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.12 -0.987 . . . . 0.0 109.474 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.835 . . . . 0.0 109.953 -179.275 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.534 ' HG ' ' N ' ' B' ' 2' ' ' GLU . 4.5 t . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.534 ' N ' ' HG ' ' B' ' 1' ' ' SER . 40.5 mt-10 -59.89 -35.03 74.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 0.0 109.864 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.02 -32.78 71.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.852 -1.155 . . . . 0.0 110.689 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -62.62 -45.87 90.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.812 -1.18 . . . . 0.0 109.564 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.97 -38.11 84.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.266 -0.896 . . . . 0.0 110.82 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.92 -48.87 79.95 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.572 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.21 -43.14 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.065 -1.022 . . . . 0.0 110.175 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.08 -40.03 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.95 87.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.031 -1.043 . . . . 0.0 110.222 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.19 -44.36 96.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.92 -51.45 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.751 -1.218 . . . . 0.0 109.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.98 -43.67 94.97 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.195 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.16 -39.93 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 0.0 109.873 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -64.48 -59.91 3.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.349 -0.845 . . . . 0.0 110.775 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -61.19 -40.95 95.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 112.035 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -70.27 -40.89 74.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.197 -1.564 . . . . 0.0 109.544 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 61.2 t80 -73.22 -43.97 60.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.633 0.73 . . . . 0.0 109.275 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.6 t -73.18 -23.17 60.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.69 -0.632 . . . . 0.0 110.328 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.23 23.38 15.18 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -83.37 -44.17 15.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.954 -1.321 . . . . 0.0 108.824 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -148.86 156.01 41.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.334 -0.853 . . . . 0.0 109.595 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.86 -171.85 55.18 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.27 150.53 29.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -1.05 . . . . 0.0 109.591 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 68.4 mttm -74.4 136.8 42.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 0.0 109.882 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.534 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 24.9 t-80 93.7 -15.35 0.12 Allowed 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 123.111 0.564 . . . . 0.0 110.581 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.71 116.28 31.42 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.924 . . . . 0.0 109.775 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.8 mm? -94.67 120.18 34.48 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.157 -0.965 . . . . 0.0 109.381 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -90.98 163.43 14.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.622 -0.674 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.01 -44.9 83.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.091 -1.005 . . . . 0.0 110.362 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.2 t -60.64 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.902 -1.124 . . . . 0.0 108.825 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.02 -36.28 79.67 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.94 -41.2 74.88 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.891 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.77 -40.0 95.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.672 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -43.49 95.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.432 -0.792 . . . . 0.0 109.741 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.53 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.5 tp -59.99 -41.91 93.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.628 -179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.42 HD11 HG21 ' B' ' 36' ' ' ILE . 96.6 mt -67.35 -40.23 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.21 -0.931 . . . . 0.0 109.747 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.94 -19.89 46.94 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.464 -0.772 . . . . 0.0 110.72 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.07 -56.89 16.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.116 -0.99 . . . . 0.0 111.515 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -144.76 -6.33 0.69 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.74 -1.225 . . . . 0.0 110.461 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.6 tp -90.81 123.18 34.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.955 -1.09 . . . . 0.0 109.21 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -159.48 -29.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.291 -0.881 . . . . 0.0 110.204 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -68.73 -24.34 64.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.068 -1.02 . . . . 0.0 109.501 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -99.5 -17.4 17.92 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.809 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.26 110.82 6.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.234 -0.916 . . . . 0.0 109.066 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 46' ' ' GLU . 85.8 tt0 -109.85 -29.09 8.45 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.328 -0.858 . . . . 0.0 109.477 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 45' ' ' GLU . 78.1 mm-40 -60.97 -129.4 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.345 -0.847 . . . . 0.0 109.686 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mt 48.95 63.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -103.84 -16.22 15.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.208 -0.932 . . . . 0.0 109.144 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -123.14 144.75 49.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.95 -35.11 74.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.963 -1.086 . . . . 0.0 109.176 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -54.74 -30.26 55.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.305 -0.872 . . . . 0.0 108.91 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.44 -33.56 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 108.667 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.75 -42.07 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.386 -0.821 . . . . 0.0 108.856 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' B' ' 54' ' ' ASP . 48.8 t0 -60.08 -42.87 95.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.48 -0.763 . . . . 0.0 109.971 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.61 -42.81 97.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.14 -0.975 . . . . 0.0 108.526 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -40.0 83.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.532 -0.73 . . . . 0.0 109.071 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.3 mmm -65.23 -40.94 94.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.426 -0.796 . . . . 0.0 109.739 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -60.81 -47.89 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.15 -0.969 . . . . 0.0 109.552 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.09 -40.33 78.46 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.77 -40.74 69.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.567 -0.708 . . . . 0.0 109.844 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -80.35 54.86 2.1 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.22 -38.59 83.84 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 2.9 p-10 -59.8 -34.77 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.928 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 87.79 87.78 1.13 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 82.7 m-20 -146.89 -30.41 0.35 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.455 -1.027 . . . . 0.0 110.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.86 -13.99 61.46 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -137.19 160.98 37.44 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.19 107.23 18.57 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.873 -1.142 . . . . 0.0 109.372 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.79 173.15 4.58 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.367 -0.833 . . . . 0.0 111.146 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.06 -49.95 75.63 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.445 0.64 . . . . 0.0 109.374 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.473 HE21 ' CG2' ' A' ' 82' ' ' THR . 26.3 mp0 -58.4 -52.76 64.26 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.356 -0.937 . . . . 0.0 108.778 -179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 75' ' ' ALA . 84.5 mt-10 -60.07 -46.58 89.09 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -47.17 -39.39 13.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -69.81 -25.58 63.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 108.898 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -66.73 -55.74 13.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.44 -39.14 67.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.0 -45.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -65.98 -42.14 90.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.591 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 83' ' ' ALA . 66.1 mmm -55.87 -41.05 73.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 108.746 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.12 -30.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -84.38 -49.95 8.24 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.622 0.725 . . . . 0.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.454 ' CG2' HE21 ' A' ' 71' ' ' GLN . 4.5 m -71.11 -19.25 62.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.16 -41.07 58.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.449 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 88.7 m . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 110.016 -179.185 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.71 -30.41 70.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.861 -1.15 . . . . 0.0 109.518 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 7.9 mp -70.7 -32.18 69.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.181 -0.95 . . . . 0.0 109.509 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.078 -1.014 . . . . 0.0 108.683 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.58 -40.19 84.84 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 109.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.34 82.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 109.786 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.523 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 23.6 tpp -64.81 -52.52 56.37 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.12 0.962 . . . . 0.0 108.582 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.74 -40.0 81.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.649 -0.657 . . . . 0.0 109.815 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.35 93.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.032 -1.042 . . . . 0.0 109.498 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.57 -49.42 77.61 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.205 -0.934 . . . . 0.0 111.502 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.4 HG23 HD12 ' A' ' 11' ' ' ILE . 96.2 mt -59.86 -49.3 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.77 -40.99 85.56 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.47 -41.35 78.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 110.031 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.07 -58.49 5.93 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.924 -1.11 . . . . 0.0 111.092 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.5 -40.53 87.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 111.02 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -68.32 -39.84 81.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.347 -1.471 . . . . 0.0 108.02 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.495 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 64.6 t80 -73.21 -41.04 64.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.566 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -69.48 -18.69 63.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.36 22.99 20.8 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -80.29 -47.16 14.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.757 -1.437 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -150.86 147.25 27.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 -169.8 50.91 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -73.45 147.95 43.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.499 -1.0 . . . . 0.0 109.261 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 96.7 mttt -70.1 140.02 52.63 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.595 -0.691 . . . . 0.0 110.045 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.0 t60 78.33 39.13 0.15 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.713 . . . . 0.0 109.359 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.87 109.51 3.43 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -97.22 116.36 29.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.639 -1.288 . . . . 0.0 109.787 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -87.17 160.95 18.32 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -57.54 -41.09 80.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.907 -1.121 . . . . 0.0 109.387 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -64.19 -39.66 94.44 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 108.688 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -69.73 -37.22 76.43 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.426 1.108 . . . . 0.0 108.687 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.82 -41.51 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.56 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 50.9 tp10 -64.21 -44.35 92.19 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.046 -1.034 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.0 tt -59.9 -48.77 80.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.407 -0.808 . . . . 0.0 110.522 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.0 mt -60.58 -46.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.247 -0.908 . . . . 0.0 109.266 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.17 -43.45 98.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.034 -1.041 . . . . 0.0 110.895 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 90.6 m-20 -81.26 -46.83 14.2 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.809 -1.182 . . . . 0.0 111.757 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -88.03 -74.96 0.43 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.784 -1.198 . . . . 0.0 111.279 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 36' ' ' ILE . 61.6 tp -85.32 93.5 8.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.781 -1.2 . . . . 0.0 110.319 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -145.46 -33.5 0.35 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.294 -0.879 . . . . 0.0 109.012 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -68.81 -19.01 64.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.601 -0.687 . . . . 0.0 110.932 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.6 -15.36 13.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.119 -0.988 . . . . 0.0 109.823 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.7 tp -140.0 140.83 36.34 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.281 -0.887 . . . . 0.0 108.629 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -125.08 -109.41 0.32 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.577 -0.702 . . . . 0.0 110.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 47.29 -142.35 0.43 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.327 -0.858 . . . . 0.0 109.885 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 47' ' ' ILE . 87.7 mt 49.87 70.0 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.16 -0.963 . . . . 0.0 110.397 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -107.44 -12.32 15.33 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.152 -0.968 . . . . 0.0 109.661 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 88.3 tt0 -136.1 150.69 49.22 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.228 -0.92 . . . . 0.0 109.595 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.97 . . . . 0.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 76.9 mm-40 -57.05 -32.64 66.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.848 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.4 -35.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.738 -1.226 . . . . 0.0 107.73 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.88 -40.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.04 -40.87 90.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.421 -0.799 . . . . 0.0 109.863 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -67.03 -50.99 60.31 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 118.884 -1.127 . . . . 0.0 108.725 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -63.31 -43.34 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.657 -0.652 . . . . 0.0 110.429 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.61 -49.45 76.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.181 -0.949 . . . . 0.0 109.608 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -40.69 92.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.052 -1.03 . . . . 0.0 109.129 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.2 m -66.99 -40.07 87.29 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.71 -46.78 88.05 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.718 . . . . 0.0 109.149 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' A' ' 57' ' ' MET . 99.3 m-20 -62.52 100.01 0.17 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 110.533 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.46 -39.91 89.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.481 -0.762 . . . . 0.0 109.573 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -95.7 -1.64 49.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.487 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 23.85 74.71 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 119.148 -1.501 . . . . 0.0 110.279 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 34.4 p-10 -66.32 -8.24 23.93 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.059 -1.26 . . . . 0.0 109.61 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -22.18 11.7 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -121.31 175.88 5.92 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.355 -1.085 . . . . 0.0 108.407 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.9 t -113.39 103.47 11.33 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-O 121.93 0.871 . . . . 0.0 109.065 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.25 169.03 12.93 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.136 0.969 . . . . 0.0 110.863 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.567 0.699 . . . . 0.0 109.192 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.4 HE22 HG23 ' B' ' 82' ' ' THR . 91.6 mm-40 -59.94 -56.87 16.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 108.947 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.6 mt-10 -59.9 -40.99 90.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.004 . . . . 0.0 108.545 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -48.76 -40.84 30.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -65.53 -34.12 77.51 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.189 -0.944 . . . . 0.0 108.994 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.78 -55.03 34.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.8 -39.23 71.02 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.71 -45.34 97.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 81' ' ' THR . 70.9 m -66.6 -43.52 84.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.346 -0.846 . . . . 0.0 109.192 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.467 ' O ' ' N ' ' A' ' 83' ' ' ALA . 55.6 ttm -50.81 -40.53 55.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.07 . . . . 0.0 108.885 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.64 -26.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 78' ' ' SER . 4.6 m -82.59 -50.92 8.26 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.439 0.637 . . . . 0.0 109.364 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.6 p -72.46 -19.55 61.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.458 -0.777 . . . . 0.0 110.266 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -74.79 -47.48 30.6 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.905 -1.122 . . . . 0.0 109.444 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.4 m -78.86 130.15 35.35 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.697 -0.627 . . . . 0.0 109.349 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -80.62 162.42 24.24 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.73 114.59 7.22 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.041 -1.037 . . . . 0.0 109.281 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 63.0 t80 -100.84 -0.47 36.89 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -87.35 9.7 19.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.508 -0.745 . . . . 0.0 109.893 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -88.42 -7.67 56.24 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.148 -0.97 . . . . 0.0 109.168 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -100.78 142.93 31.55 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.334 -0.854 . . . . 0.0 109.496 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--N 1.301 -1.511 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.271 179.621 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.89 -30.65 70.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.663 -1.273 . . . . 0.0 109.59 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' B' ' 3' ' ' LEU . 8.1 mp -70.44 -32.23 69.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.146 -0.971 . . . . 0.0 109.463 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -41.48 92.36 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.403 -0.919 . . . . 0.0 108.677 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -67.34 -39.95 85.82 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.015 -1.053 . . . . 0.0 109.401 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.09 78.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.27 -0.894 . . . . 0.0 109.286 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.475 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 25.7 tpp -63.33 -53.2 56.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.047 0.927 . . . . 0.0 108.711 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.01 -40.35 82.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.741 -0.599 . . . . 0.0 109.779 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.28 92.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.056 -1.028 . . . . 0.0 109.579 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.81 -49.36 77.79 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 111.623 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -60.26 -48.93 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 109.457 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.2 -40.24 85.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.605 -0.684 . . . . 0.0 109.233 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.61 -42.29 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 110.078 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.05 -57.87 7.54 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.893 -1.13 . . . . 0.0 111.511 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -59.95 -40.08 87.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.851 -1.156 . . . . 0.0 110.681 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -68.33 -39.44 81.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.427 -1.42 . . . . 0.0 108.409 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.492 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 59.8 t80 -74.15 -40.79 62.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.489 -0.757 . . . . 0.0 110.428 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 43.5 m -69.7 -17.58 63.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.732 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.88 21.83 28.39 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -79.83 -46.95 15.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.727 -1.455 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -150.95 146.92 26.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.308 -0.87 . . . . 0.0 109.827 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -170.01 50.0 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -73.29 148.35 43.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -1.06 . . . . 0.0 109.238 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 97.0 mttt -70.56 140.04 51.65 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.0 t60 78.47 39.83 0.13 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.533 -0.729 . . . . 0.0 109.131 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -153.37 109.76 3.36 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.55 115.59 28.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.828 -1.17 . . . . 0.0 109.929 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -86.68 160.47 18.85 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.528 ' HZ3' ' CB ' ' B' ' 29' ' ' LYS . 7.1 ttpm? -57.2 -42.51 81.41 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.772 -1.205 . . . . 0.0 109.196 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -62.26 -39.99 94.74 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.111 -0.993 . . . . 0.0 108.591 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 122.294 1.045 . . . . 0.0 109.059 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 tp -63.1 -41.58 99.4 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.2 -42.32 98.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.6 tp10 -63.19 -44.83 94.29 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.345 -0.847 . . . . 0.0 109.817 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.492 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.7 tt -59.93 -48.83 80.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 110.168 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -60.1 -46.43 94.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.313 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -62.11 -42.24 99.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.816 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 88.5 m-20 -82.4 -46.22 13.81 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.828 -1.17 . . . . 0.0 111.647 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -88.58 -75.37 0.43 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.883 -1.136 . . . . 0.0 111.33 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 36' ' ' ILE . 63.2 tp -84.58 92.73 8.2 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.999 -1.063 . . . . 0.0 110.04 -178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.5 p -144.8 -33.88 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.231 -0.918 . . . . 0.0 109.336 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -68.42 -19.7 64.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.629 -0.67 . . . . 0.0 110.972 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -111.5 -15.9 13.42 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.155 -0.965 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 tp -139.88 141.03 36.61 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.189 -0.945 . . . . 0.0 108.584 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -125.28 -109.94 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.568 -0.708 . . . . 0.0 110.071 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 48.14 -141.98 0.52 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.308 -0.87 . . . . 0.0 109.732 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 86.5 mt 50.21 69.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 0.0 110.264 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -107.71 -12.63 15.19 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.283 -0.886 . . . . 0.0 109.687 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.416 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 87.0 tt0 -135.89 150.63 49.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 0.0 109.368 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.28 -39.62 87.52 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.433 -0.792 . . . . 0.0 109.957 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 76.5 mm-40 -57.11 -32.1 65.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.172 -0.955 . . . . 0.0 109.897 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.88 -36.36 75.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.55 -41.65 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.22 -40.08 88.93 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.503 -0.748 . . . . 0.0 110.175 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.99 -51.57 53.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.89 -1.131 . . . . 0.0 108.658 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.73 -42.93 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.486 -0.759 . . . . 0.0 110.732 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.13 -49.41 75.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.98 -1.075 . . . . 0.0 109.826 -178.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.34 -40.91 92.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.814 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -66.29 -39.98 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.97 -47.11 87.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.612 -0.68 . . . . 0.0 109.295 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' B' ' 57' ' ' MET . 98.1 m-20 -62.26 100.03 0.16 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.757 0.789 . . . . 0.0 110.354 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.47 -39.66 88.44 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -96.04 -2.23 47.23 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.435 -0.79 . . . . 0.0 111.366 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.75 23.29 75.65 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.082 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 33.1 p-10 -65.4 -8.85 20.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.096 -1.238 . . . . 0.0 109.524 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.09 -25.43 7.76 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -119.59 172.64 7.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.187 -1.184 . . . . 0.0 108.426 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -108.41 104.92 14.38 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.176 -0.952 . . . . 0.0 109.342 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -70.09 169.53 13.29 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 122.05 0.928 . . . . 0.0 111.142 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.71 -43.57 97.65 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.691 0.758 . . . . 0.0 109.181 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -60.22 -57.04 14.5 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.18 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.5 mt-10 -59.89 -40.62 89.36 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -48.17 -40.19 23.17 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.68 -35.15 79.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.345 -0.847 . . . . 0.0 108.862 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.34 -55.14 37.19 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.08 -40.16 73.18 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.81 -45.1 95.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.532 ' O ' ' N ' ' B' ' 81' ' ' THR . 67.9 m -67.25 -43.95 80.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.334 -0.854 . . . . 0.0 108.937 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.432 ' O ' ' N ' ' B' ' 83' ' ' ALA . 55.5 ttm -50.32 -41.42 51.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.005 -1.06 . . . . 0.0 108.879 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.88 -26.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.532 ' N ' ' O ' ' B' ' 78' ' ' SER . 4.4 m -82.99 -51.56 7.46 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.4 HG23 HE22 ' A' ' 71' ' ' GLN . 30.5 p -71.81 -19.96 61.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.611 -0.68 . . . . 0.0 110.391 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -74.37 -47.68 32.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.927 -1.108 . . . . 0.0 109.36 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 81.6 m -79.0 129.39 34.39 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.466 0.65 . . . . 0.0 109.476 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -80.11 161.34 25.37 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.51 114.65 7.1 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.167 -0.958 . . . . 0.0 109.527 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 63.9 t80 -101.23 -0.61 35.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.845 . . . . 0.0 108.904 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -86.64 9.29 19.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.452 -0.78 . . . . 0.0 109.937 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -88.4 -7.16 57.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.275 -0.89 . . . . 0.0 109.085 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -100.84 143.15 31.34 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.402 -0.811 . . . . 0.0 109.224 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.297 -1.69 0 CA-C-O 117.84 -1.076 . . . . 0.0 109.351 179.433 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.29 -31.3 72.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.217 -0.927 . . . . 0.0 110.002 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.96 -30.45 67.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.083 -1.01 . . . . 0.0 109.263 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.78 -39.98 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.329 -0.857 . . . . 0.0 109.898 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -64.41 -40.05 95.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.993 . . . . 0.0 109.834 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.93 83.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.414 -0.804 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -60.15 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.222 -0.924 . . . . 0.0 108.942 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.83 -40.08 81.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -42.86 92.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.678 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.91 -50.06 75.23 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.059 -1.025 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.96 -49.93 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 110.219 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.9 -40.13 87.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.272 -0.892 . . . . 0.0 109.43 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -40.74 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.915 . . . . 0.0 109.652 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.76 -55.97 21.76 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.982 -1.074 . . . . 0.0 111.274 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.97 -42.14 93.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.884 -1.135 . . . . 0.0 111.12 -176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.485 ' O ' ' NH1' ' A' ' 20' ' ' ARG . 27.2 mt-30 -70.45 -40.19 73.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.109 -1.619 . . . . 0.0 109.639 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.64 -46.64 65.73 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.768 0.794 . . . . 0.0 109.12 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.0 t -70.93 -14.85 62.52 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.96 14.35 62.16 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.485 ' NH1' ' O ' ' A' ' 16' ' ' GLN . 80.6 mmt-85 -72.73 -40.16 66.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.412 . . . . 0.0 109.039 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.45 1.94 33.1 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.89 3.06 90.58 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -90.08 84.68 6.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.333 -1.098 . . . . 0.0 110.034 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -75.86 161.74 28.73 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.528 ' HE2' ' CD ' ' B' ' 86' ' ' GLU . 89.9 m-70 45.26 33.58 1.23 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.615 -1.303 . . . . 0.0 110.828 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -169.68 97.39 0.31 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.68 128.86 44.03 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.82 157.51 19.56 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.505 -0.747 . . . . 0.0 110.246 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.693 ' HZ3' ' NE2' ' A' ' 50' ' ' GLN . 35.8 ttpt -55.2 -46.36 75.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.661 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -60.13 -37.51 80.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.892 -1.13 . . . . 0.0 108.41 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.1 -46.42 90.68 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.93 -41.09 95.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.366 -0.834 . . . . 0.0 109.678 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.95 -44.55 94.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 0.0 109.336 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.0 -46.85 88.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.608 -0.683 . . . . 0.0 110.282 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.15 -49.71 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.037 -1.039 . . . . 0.0 111.155 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.956 -1.09 . . . . 0.0 110.069 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -76.33 -47.44 23.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.847 . . . . 0.0 110.957 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -84.01 -71.62 0.5 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.197 -0.939 . . . . 0.0 112.65 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -91.77 121.05 33.05 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.765 -1.209 . . . . 0.0 111.619 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.3 m -135.47 -48.54 0.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.84 -20.01 53.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.53 -0.731 . . . . 0.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.67 -17.63 17.68 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.323 -0.86 . . . . 0.0 109.91 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.96 135.39 10.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 48.6 tt0 -171.34 -133.69 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 79.8 mm-40 53.77 29.96 10.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 47' ' ' ILE . 96.6 mt -95.61 115.5 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.182 -0.949 . . . . 0.0 108.503 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -89.96 -79.53 0.34 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.225 -0.922 . . . . 0.0 110.576 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.28 166.62 10.47 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.825 0.821 . . . . 0.0 110.717 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.693 ' NE2' ' HZ3' ' A' ' 29' ' ' LYS . 30.0 tt0 -60.01 -37.82 80.84 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.479 0.657 . . . . 0.0 109.275 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 47.9 mp0 -48.03 -30.79 4.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.195 -0.941 . . . . 0.0 109.082 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.62 -36.02 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.063 -1.023 . . . . 0.0 108.493 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.1 t -66.99 -39.97 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -59.92 -39.61 86.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 0.0 109.136 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.96 -48.41 81.81 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.383 -0.823 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.98 -41.48 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.94 -41.37 95.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.311 -0.868 . . . . 0.0 111.078 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.24 -40.93 91.99 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.057 -1.027 . . . . 0.0 109.896 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.23 -38.62 78.61 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.36 -0.837 . . . . 0.0 109.841 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.02 -39.94 75.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.468 -0.77 . . . . 0.0 110.358 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.85 101.76 0.87 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.068 -1.02 . . . . 0.0 110.261 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.62 -39.97 92.08 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.582 -0.699 . . . . 0.0 109.61 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -89.87 -11.17 42.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.189 -0.944 . . . . 0.0 110.623 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.08 29.05 73.22 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -77.67 -0.58 27.24 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.247 -1.149 . . . . 0.0 110.287 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.7 -2.95 71.15 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.63 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -131.51 163.87 27.05 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.374 . . . . 0.0 108.284 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -104.56 103.59 13.29 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.903 -1.123 . . . . 0.0 109.833 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.0 t0 -71.44 176.59 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 110.955 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 58.1 t80 -60.07 -49.95 75.63 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.493 0.663 . . . . 0.0 109.572 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.5 -52.6 64.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.627 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.95 -44.13 94.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -47.96 -43.22 29.21 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 tpt -69.68 -39.67 76.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -14.79 4.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.121 -0.987 . . . . 0.0 111.119 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -92.23 -26.41 18.19 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.87 -41.82 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.351 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' THR . 46.7 t -71.48 -49.46 41.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.944 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 ttm -49.92 -41.32 45.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.088 -1.007 . . . . 0.0 109.55 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.64 -25.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -78.67 -49.75 12.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.8 p -71.07 -15.13 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.694 -0.629 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.23 62.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 0.0 110.1 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 81' ' ' THR . 27.6 p -69.39 160.02 32.11 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.172 -0.955 . . . . 0.0 110.171 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -70.76 160.07 33.36 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.572 0.701 . . . . 0.0 109.824 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.549 ' CD ' ' HE2' ' B' ' 25' ' ' HIS . 97.2 mt-10 -60.04 -39.98 87.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.605 -0.684 . . . . 0.0 109.713 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -68.22 139.54 56.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.277 -0.89 . . . . 0.0 109.717 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -77.44 146.98 36.19 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.31 -0.868 . . . . 0.0 109.992 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -105.66 101.89 11.38 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.582 -0.699 . . . . 0.0 109.36 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 91' ' ' GLU . 86.5 t60 -71.0 -40.26 71.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.891 -1.13 . . . . 0.0 109.546 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' HIS . 86.5 tt0 . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.819 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.6 -31.04 72.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.774 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.99 -30.45 67.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 109.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.84 -40.14 94.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.313 -0.867 . . . . 0.0 109.763 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -64.4 -40.04 95.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.974 -1.079 . . . . 0.0 109.847 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -48.07 83.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.202 -0.936 . . . . 0.0 109.44 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.95 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.01 . . . . 0.0 109.024 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.93 -39.94 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.62 93.68 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.819 -1.175 . . . . 0.0 109.567 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.06 -49.85 76.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.927 -1.108 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.09 -49.9 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.007 -1.058 . . . . 0.0 110.223 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.05 -39.99 87.89 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.434 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.67 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.256 -0.902 . . . . 0.0 109.757 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.81 -55.84 22.77 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.095 -1.003 . . . . 0.0 111.24 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -59.95 -42.63 94.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.961 -1.087 . . . . 0.0 111.081 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.47 ' O ' ' NH1' ' B' ' 20' ' ' ARG . 27.2 mt-30 -70.06 -39.97 75.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.191 -1.568 . . . . 0.0 109.909 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -69.89 -46.63 65.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.776 0.798 . . . . 0.0 109.097 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -70.87 -14.98 62.59 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.01 14.55 61.7 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' B' ' 16' ' ' GLN . 80.2 mmt-85 -72.78 -40.06 66.25 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.734 -1.451 . . . . 0.0 109.11 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.6 2.21 33.05 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.691 -0.63 . . . . 0.0 109.327 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 3.34 90.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -90.38 84.74 6.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -1.119 . . . . 0.0 110.039 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -75.82 161.5 28.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.549 ' HE2' ' CD ' ' A' ' 86' ' ' GLU . 89.9 m-70 45.15 33.78 1.21 Allowed 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.62 -1.3 . . . . 0.0 110.822 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -169.8 97.52 0.3 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.39 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.88 128.64 44.04 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -86.5 157.54 19.76 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.485 -0.759 . . . . 0.0 110.317 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.525 ' NZ ' ' OD1' ' B' ' 54' ' ' ASP . 35.3 ttpt -55.42 -46.27 76.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -0.906 . . . . 0.0 109.708 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.8 p -60.02 -37.68 80.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.959 -1.088 . . . . 0.0 108.346 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.92 -39.93 75.87 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -61.23 -46.08 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.1 -41.06 95.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.41 -0.806 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.09 -44.6 94.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -0.823 . . . . 0.0 109.212 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.98 -46.91 87.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.51 -0.744 . . . . 0.0 110.294 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.419 HG22 HD11 ' B' ' 36' ' ' ILE . 92.4 mt -60.03 -49.65 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.984 -1.072 . . . . 0.0 111.141 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.12 -39.91 87.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 110.136 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.52 -47.25 23.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 111.016 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.99 -71.31 0.51 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.317 -0.864 . . . . 0.0 112.731 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.8 mt -92.13 121.2 33.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.849 -1.157 . . . . 0.0 111.508 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 52.2 m -135.79 -48.33 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.85 -19.99 53.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.591 -0.693 . . . . 0.0 109.472 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.73 -17.71 17.6 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.238 -0.914 . . . . 0.0 109.808 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.94 135.47 10.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.31 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' B' ' 46' ' ' GLU . 48.6 tt0 -171.25 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' B' ' 45' ' ' GLU . 79.9 mm-40 53.61 29.73 9.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.106 -0.996 . . . . 0.0 109.695 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -95.34 115.46 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.105 -0.997 . . . . 0.0 108.497 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -89.97 -79.47 0.34 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.657 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -102.19 167.16 10.18 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.777 0.798 . . . . 0.0 110.83 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.489 ' NE2' ' HZ1' ' B' ' 29' ' ' LYS . 29.7 tt0 -59.93 -38.32 82.04 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.533 0.682 . . . . 0.0 109.275 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 48.2 mp0 -47.78 -30.9 4.32 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.155 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.65 -35.79 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.054 -1.029 . . . . 0.0 108.605 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.3 t -67.19 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.525 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 90.5 m-20 -59.93 -39.36 85.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.41 -0.806 . . . . 0.0 109.088 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.97 -49.04 79.22 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.44 -41.59 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.257 -0.902 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 ttt -64.7 -41.62 95.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.309 -0.87 . . . . 0.0 111.059 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.05 -41.44 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.115 -0.991 . . . . 0.0 109.852 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.98 -38.48 79.37 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.365 -0.834 . . . . 0.0 109.791 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.03 -40.98 74.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.415 -0.803 . . . . 0.0 110.093 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -66.1 102.64 0.84 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.783 -1.198 . . . . 0.0 110.377 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.97 -40.02 90.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.58 -0.7 . . . . 0.0 109.545 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -89.67 -11.0 43.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.704 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.99 73.33 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.7 -0.57 27.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.271 -1.135 . . . . 0.0 110.333 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 -3.04 70.92 Favored Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.973 -1.108 . . . . 0.0 111.69 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -131.37 163.64 27.43 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.969 -1.312 . . . . 0.0 108.309 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.21 103.54 13.32 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.994 -1.066 . . . . 0.0 109.911 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.2 t0 -71.38 176.48 4.6 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.314 -0.866 . . . . 0.0 111.072 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 57.9 t80 -59.95 -50.04 75.32 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.575 0.702 . . . . 0.0 109.615 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.31 -52.68 64.6 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.615 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.99 -44.53 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.91 -1.119 . . . . 0.0 108.013 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -47.38 -43.29 23.26 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -69.75 -39.65 76.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -14.76 4.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 111.208 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -92.32 -26.7 17.99 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.7 -41.68 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.354 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.431 ' O ' ' N ' ' B' ' 81' ' ' THR . 48.2 t -71.72 -49.47 39.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.105 -0.997 . . . . 0.0 109.937 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttm -49.82 -41.29 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.036 . . . . 0.0 109.539 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.51 -25.91 36.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.434 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 23.2 m -78.89 -49.61 12.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.5 p -71.08 -15.06 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.74 -0.6 . . . . 0.0 109.698 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' B' ' 81' ' ' THR . 27.5 p -69.46 160.06 32.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 110.209 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -70.86 160.22 33.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.532 -0.73 . . . . 0.0 109.92 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.528 ' CD ' ' HE2' ' A' ' 25' ' ' HIS . 96.9 mt-10 -60.02 -40.2 88.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.54 -0.725 . . . . 0.0 109.62 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -67.98 139.53 56.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.0 109.693 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -77.49 147.2 35.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 0.0 109.954 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -105.78 101.94 11.41 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.452 -0.78 . . . . 0.0 109.287 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' B' ' 91' ' ' GLU . 86.5 t60 -70.95 -40.3 72.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.866 -1.146 . . . . 0.0 109.404 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' B' ' 90' ' ' HIS . 86.7 tt0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.833 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.41 -30.59 71.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.146 -0.971 . . . . 0.0 109.947 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.57 -33.1 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.297 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.91 -40.27 92.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.98 -40.39 96.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.018 -1.051 . . . . 0.0 109.719 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.81 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.058 -1.026 . . . . 0.0 109.289 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.9 ttm -61.57 -50.81 71.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.71 -40.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.951 -1.093 . . . . 0.0 109.242 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.24 -49.76 76.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.052 -1.03 . . . . 0.0 110.71 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -49.97 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.04 -39.73 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.866 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.29 -42.0 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.918 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.06 -55.82 25.15 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.645 -1.284 . . . . 0.0 111.085 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.46 -39.94 85.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.029 . . . . 0.0 111.601 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -68.66 -36.62 78.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.457 -1.402 . . . . 0.0 109.824 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 14.4 m-85 -83.95 -42.89 15.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.369 -0.832 . . . . 0.0 110.916 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.2 t -70.06 -21.78 63.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.639 -1.288 . . . . 0.0 110.052 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.9 21.35 11.66 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -87.11 -53.66 4.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -1.156 . . . . 0.0 109.256 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -147.41 160.52 42.46 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.237 -0.914 . . . . 0.0 109.288 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.59 -158.18 39.0 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.717 ' H ' ' NZ ' ' A' ' 28' ' ' LYS . 19.2 t0 -78.12 166.15 23.12 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.036 -1.273 . . . . 0.0 108.468 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.77 -39.96 90.75 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.362 -0.836 . . . . 0.0 111.387 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -111.77 1.07 16.45 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.699 -1.25 . . . . 0.0 112.995 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 127.22 53.19 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 120.442 -1.411 . . . . 0.0 109.325 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.71 131.45 45.68 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.424 -0.797 . . . . 0.0 109.161 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.717 ' NZ ' ' H ' ' A' ' 23' ' ' ASP . 14.1 mptt -93.95 166.62 12.07 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 50' ' ' GLN . 38.5 tttm -58.89 -49.33 78.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.38 -0.825 . . . . 0.0 110.282 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 m -60.32 -40.13 89.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.726 -1.234 . . . . 0.0 109.71 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.23 -45.01 96.33 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.49 -40.34 90.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 110.206 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.53 -46.45 88.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.105 -0.997 . . . . 0.0 110.55 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.75 -50.08 75.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.911 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 94.1 mt -60.75 -50.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.222 -0.924 . . . . 0.0 109.516 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -61.67 -40.08 93.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 110.681 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -76.59 -56.03 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.179 -0.951 . . . . 0.0 111.214 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 17' ' ' TYR . 95.5 mt-10 -87.18 -75.27 0.41 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.993 -1.067 . . . . 0.0 112.115 -177.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 60.3 tp -82.14 96.12 7.71 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.801 -1.187 . . . . 0.0 110.82 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 36' ' ' ILE . 14.6 m -147.29 -33.56 0.27 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -61.82 -13.2 21.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.589 -0.694 . . . . 0.0 110.435 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.07 -13.08 14.11 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.046 -1.034 . . . . 0.0 109.562 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mp -110.08 -89.84 0.48 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.525 -0.734 . . . . 0.0 109.364 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 62.35 8.7 2.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.555 -0.715 . . . . 0.0 109.151 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.87 -14.36 27.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.5 mt -85.58 117.73 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.984 -1.072 . . . . 0.0 109.582 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -126.57 -27.26 3.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.574 -0.704 . . . . 0.0 109.835 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 58.0 mp0 -110.95 149.1 31.14 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.333 -0.854 . . . . 0.0 110.593 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' NE2' ' NZ ' ' A' ' 29' ' ' LYS . 25.2 mm100 -60.56 -39.75 89.14 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.529 0.681 . . . . 0.0 109.486 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -54.51 -33.39 59.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.55 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.08 -35.09 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.047 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.3 t -70.42 -39.98 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 109.177 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.62 -44.59 93.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.47 -0.768 . . . . 0.0 110.276 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.8 -49.28 75.56 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.039 -1.038 . . . . 0.0 108.728 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.59 -41.58 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.64 -0.663 . . . . 0.0 110.402 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttt -60.23 -47.95 83.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.019 -1.05 . . . . 0.0 110.881 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -46.65 88.7 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.002 -1.061 . . . . 0.0 109.681 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.7 m -60.57 -39.14 86.92 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.463 -0.773 . . . . 0.0 110.305 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.74 -40.19 76.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.359 -0.838 . . . . 0.0 110.844 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -66.89 101.29 0.81 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.001 -1.062 . . . . 0.0 109.909 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.1 -40.63 90.31 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.365 -0.835 . . . . 0.0 109.513 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -96.62 -4.6 40.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.312 -0.868 . . . . 0.0 111.345 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.25 72.26 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 120.594 -1.317 . . . . 0.0 110.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -71.45 -5.67 34.61 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.958 -1.319 . . . . 0.0 111.215 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -19.42 44.96 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.883 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 54.6 mp0 -129.69 170.02 14.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.067 -1.255 . . . . 0.0 109.092 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.84 104.96 14.79 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.297 -0.877 . . . . 0.0 109.894 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -69.85 175.35 4.39 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.807 0.813 . . . . 0.0 110.93 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.46 -49.6 76.92 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.462 0.648 . . . . 0.0 109.435 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 28.3 mp0 -56.75 -54.19 49.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.065 -1.022 . . . . 0.0 108.78 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -42.84 94.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.078 -1.014 . . . . 0.0 108.857 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -48.55 -40.56 27.53 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -67.52 -30.92 70.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 109.186 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.91 -53.24 58.48 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -53.7 -40.02 65.66 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.92 -43.19 98.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.4 t -69.71 -47.5 62.94 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.491 -0.755 . . . . 0.0 110.187 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -52.28 -44.83 65.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.944 -1.097 . . . . 0.0 109.449 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.07 -29.57 46.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.1 m -82.03 -49.39 10.28 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.753 0.787 . . . . 0.0 109.159 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 m -72.07 -18.48 61.93 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.299 0.571 . . . . 0.0 109.798 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -69.83 -39.79 76.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.314 -0.866 . . . . 0.0 109.666 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 47.0 t -87.75 130.95 34.66 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.259 -0.901 . . . . 0.0 109.694 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -68.48 153.45 43.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.294 -0.879 . . . . 0.0 108.82 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.75 129.92 43.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.02 -1.05 . . . . 0.0 109.793 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -170.72 95.38 0.21 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.251 -0.906 . . . . 0.0 109.431 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' GLU . 66.2 t80 -89.72 -76.93 0.4 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.206 -0.934 . . . . 0.0 109.58 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' PHE . 24.4 tt0 40.72 -130.06 0.4 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.558 -0.714 . . . . 0.0 109.814 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -158.72 170.56 21.88 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.074 -1.016 . . . . 0.0 109.391 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.373 -179.467 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.66 -31.12 71.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.967 -1.083 . . . . 0.0 109.844 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.01 -32.95 72.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.954 -1.091 . . . . 0.0 109.419 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.56 -40.05 90.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.464 -0.772 . . . . 0.0 109.413 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.5 -40.18 95.17 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.043 -1.036 . . . . 0.0 109.815 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.77 76.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 0.0 109.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.2 ttm -61.85 -50.71 71.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 108.956 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.97 -40.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.992 -1.068 . . . . 0.0 109.233 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.95 -49.59 77.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.972 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.1 -50.02 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.028 -1.045 . . . . 0.0 109.078 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.496 -0.882 . . . . 0.0 108.742 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.06 -42.28 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.759 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.75 -55.9 25.25 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.673 -1.267 . . . . 0.0 111.142 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -59.45 -39.96 85.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 111.556 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.9 -36.47 78.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.578 -1.326 . . . . 0.0 109.807 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.439 ' CE2' ' OE2' ' B' ' 39' ' ' GLU . 14.1 m-85 -84.05 -42.8 15.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.285 -0.885 . . . . 0.0 110.953 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -70.37 -21.37 62.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.362 -1.461 . . . . 0.0 110.023 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.87 21.27 11.76 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -87.44 -52.86 5.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.025 -1.279 . . . . 0.0 109.392 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -148.05 160.06 43.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.313 -0.867 . . . . 0.0 109.047 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.29 -158.52 38.03 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 108.949 -1.661 . . . . 0.0 108.949 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.703 ' H ' ' NZ ' ' B' ' 28' ' ' LYS . 19.9 t0 -78.26 166.75 22.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.978 -1.307 . . . . 0.0 108.218 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.1 -39.67 90.83 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.266 -0.896 . . . . 0.0 111.531 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -112.08 1.03 16.13 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.834 -1.166 . . . . 0.0 112.966 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 126.76 52.69 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.574 -1.329 . . . . 0.0 109.635 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 87.6 mt -99.32 131.26 45.46 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.703 ' NZ ' ' H ' ' B' ' 23' ' ' ASP . 13.9 mptt -93.69 166.67 12.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.617 -0.677 . . . . 0.0 109.474 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' NZ ' ' NE2' ' B' ' 50' ' ' GLN . 38.9 tttm -58.81 -49.5 77.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 110.24 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.1 -40.06 88.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.8 -1.188 . . . . 0.0 109.805 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -70.03 -38.32 75.86 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.983 0.897 . . . . 0.0 108.752 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.67 -45.29 94.69 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -60.5 -40.08 90.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.449 -0.782 . . . . 0.0 110.281 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.18 -46.05 88.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.369 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.07 -50.09 75.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.169 -0.957 . . . . 0.0 109.803 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -60.46 -50.05 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.604 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.401 ' C ' ' HG ' ' B' ' 41' ' ' SER . 42.9 t30 -61.75 -39.94 93.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.146 -0.971 . . . . 0.0 110.797 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -76.66 -56.25 4.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.179 -0.951 . . . . 0.0 111.272 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.439 ' OE2' ' CE2' ' B' ' 17' ' ' TYR . 95.9 mt-10 -86.81 -75.0 0.41 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.879 -1.138 . . . . 0.0 112.135 -177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' B' ' 36' ' ' ILE . 56.3 tp -82.6 96.71 8.17 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.004 -1.06 . . . . 0.0 110.741 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 36' ' ' ILE . 12.1 m -147.96 -33.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -61.77 -13.15 21.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.488 -0.757 . . . . 0.0 110.58 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -111.42 -13.03 13.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.132 -0.98 . . . . 0.0 109.503 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mp -110.01 -89.99 0.48 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.461 -0.774 . . . . 0.0 109.201 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 62.31 8.59 2.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.447 -0.783 . . . . 0.0 109.035 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -93.06 -14.26 27.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -85.15 116.84 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.937 -1.102 . . . . 0.0 109.789 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -125.74 -27.71 3.33 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.646 -0.659 . . . . 0.0 110.144 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.6 mp0 -111.27 149.18 31.41 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.361 -0.837 . . . . 0.0 110.744 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.407 ' NE2' ' NZ ' ' B' ' 29' ' ' LYS . 24.5 mm100 -60.26 -39.77 87.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.702 -0.624 . . . . 0.0 109.745 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -54.91 -32.85 61.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.87 . . . . 0.0 110.344 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.35 -34.64 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.009 -1.057 . . . . 0.0 109.081 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.95 -39.6 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.729 . . . . 0.0 109.183 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.85 -44.56 94.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.293 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -63.21 -49.09 75.58 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 108.598 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.49 -42.02 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.648 -0.657 . . . . 0.0 110.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.9 ttt -60.18 -47.72 84.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.843 -1.161 . . . . 0.0 111.056 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -46.88 87.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.124 -0.985 . . . . 0.0 109.651 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -60.83 -38.54 85.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.549 -0.719 . . . . 0.0 110.353 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.9 -40.42 75.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.882 . . . . 0.0 110.639 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.26 101.93 0.99 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.811 -1.18 . . . . 0.0 109.686 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.06 -40.25 88.83 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.514 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -97.2 -4.71 38.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 111.364 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.31 29.96 71.69 Favored Glycine 0 N--CA 1.493 2.479 0 O-C-N 120.551 -1.343 . . . . 0.0 110.034 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -71.2 -5.87 35.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.964 -1.315 . . . . 0.0 110.967 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.39 -17.0 54.68 Favored Glycine 0 N--CA 1.494 2.526 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.951 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.467 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 53.8 mp0 -130.54 169.55 15.42 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.091 -1.241 . . . . 0.0 108.935 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.81 104.78 14.57 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.367 -0.833 . . . . 0.0 109.857 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.12 175.35 4.59 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.889 0.852 . . . . 0.0 111.087 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.1 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.532 0.682 . . . . 0.0 109.741 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 28.3 mp0 -56.81 -54.26 48.45 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.094 -1.004 . . . . 0.0 108.694 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.56 94.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.999 -1.063 . . . . 0.0 108.823 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.73 -40.67 29.37 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.3 tpt -67.28 -31.55 71.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.146 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.25 59.17 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -53.53 -40.03 65.15 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.35 -43.13 98.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 30.3 t -69.29 -47.64 63.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.411 -0.806 . . . . 0.0 110.267 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.9 ttt -52.72 -44.39 66.32 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.109 -0.995 . . . . 0.0 109.32 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -62.36 -29.58 47.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 52.4 m -82.1 -49.7 9.89 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.68 0.752 . . . . 0.0 109.007 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -71.87 -18.21 62.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.714 -0.616 . . . . 0.0 109.792 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -70.01 -40.0 75.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.426 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.87 131.25 34.16 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.226 -0.921 . . . . 0.0 109.784 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -68.96 153.06 44.46 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.173 -0.954 . . . . 0.0 108.712 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.16 129.41 41.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.113 -0.992 . . . . 0.0 110.052 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -170.37 95.51 0.24 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.315 -0.866 . . . . 0.0 109.608 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 89' ' ' GLU . 65.8 t80 -89.75 -76.81 0.41 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.189 -0.945 . . . . 0.0 109.956 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 88' ' ' PHE . 24.5 tt0 40.3 -130.05 0.36 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.45 -0.781 . . . . 0.0 109.918 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -158.61 170.87 21.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.082 -1.011 . . . . 0.0 109.375 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.37 -179.511 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.23 -36.51 73.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 109.77 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -34.76 72.46 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 109.776 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.64 -44.95 94.99 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -60.76 -39.72 89.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.62 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.88 88.13 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 108.835 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.77 -51.18 68.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.463 -0.773 . . . . 0.0 109.759 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.12 -39.57 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.382 -0.824 . . . . 0.0 109.627 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.86 92.5 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.131 -0.981 . . . . 0.0 109.007 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.19 -47.11 87.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.902 . . . . 0.0 110.04 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.8 -51.32 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.748 -1.22 . . . . 0.0 110.15 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -58.51 -39.73 80.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.6 -39.95 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.393 -0.817 . . . . 0.0 109.247 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -60.94 -57.48 12.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.31 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.97 -43.61 94.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.159 -0.963 . . . . 0.0 112.076 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.66 -40.99 98.22 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.225 -1.547 . . . . 0.0 110.22 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.496 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.6 t80 -69.35 -41.56 76.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 109.382 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -69.9 -17.2 63.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.83 19.42 20.97 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -64.21 -40.1 95.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.763 -1.434 . . . . 0.0 108.126 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 23' ' ' ASP . 86.5 tt0 -119.63 153.29 35.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.9 -19.16 0.06 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLU . 95.3 m-20 -90.96 87.19 6.52 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.85 -1.382 . . . . 0.0 109.709 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.502 ' HZ3' ' CB ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -88.08 149.91 23.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.402 -0.812 . . . . 0.0 109.54 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 17.0 t60 75.69 33.94 0.61 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.724 0.774 . . . . 0.0 109.179 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 tttm -152.54 111.64 3.84 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -98.35 114.52 26.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 29' ' ' LYS . 57.3 tttm -94.81 165.96 12.22 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 28' ' ' LYS . 23.8 pttm -59.75 -40.0 86.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.877 -1.139 . . . . 0.0 109.819 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.7 p -64.42 -39.19 93.37 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.69 -31.92 71.36 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.3 tp -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.466 0.651 . . . . 0.0 109.421 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -62.55 -40.53 97.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.354 -0.841 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.84 -42.01 86.47 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.921 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 52.2 tp -60.14 -48.41 81.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.358 -0.839 . . . . 0.0 109.677 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.73 -46.9 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.038 -1.039 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -61.12 -43.16 99.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.228 -0.92 . . . . 0.0 110.989 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -87.19 -26.14 23.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.992 -1.067 . . . . 0.0 111.276 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -87.96 -75.11 0.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.779 -1.201 . . . . 0.0 110.404 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.9 mt -99.37 121.09 40.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.15 -0.969 . . . . 0.0 110.513 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -124.94 -56.17 1.57 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -72.38 -20.44 61.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.412 -0.805 . . . . 0.0 109.616 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -101.1 0.13 37.27 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.481 -0.762 . . . . 0.0 109.759 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.28 139.93 37.49 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.086 -1.009 . . . . 0.0 109.643 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -75.9 148.36 38.31 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.95 137.65 41.77 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.346 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.9 mt -111.06 120.13 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.459 -0.775 . . . . 0.0 109.219 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -97.08 -21.65 17.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.333 -0.854 . . . . 0.0 110.021 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 53.1 mp0 -100.35 129.82 46.38 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.014 -1.054 . . . . 0.0 110.161 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -69.53 -31.52 69.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.549 -0.72 . . . . 0.0 110.034 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.53 -29.65 68.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.168 -0.958 . . . . 0.0 109.169 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.9 t -70.01 -36.34 68.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.84 -40.69 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.73 -40.29 91.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.755 . . . . 0.0 109.495 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.53 -42.03 95.63 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.5 -40.56 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.417 ' O ' ' N ' ' A' ' 61' ' ' ASP . 94.5 mmm -65.19 -41.47 94.53 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.725 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.46 -46.63 89.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 108.824 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -66.19 -39.8 89.96 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.633 0.73 . . . . 0.0 109.242 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.08 -40.3 65.14 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' MET . 87.6 m-20 -79.11 48.69 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.871 -1.143 . . . . 0.0 110.816 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -38.13 81.77 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 19.9 p-10 -59.98 -32.7 71.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.684 -0.635 . . . . 0.0 109.815 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 96.05 83.64 1.66 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 67' ' ' GLU . 97.9 m-20 -142.32 -29.23 0.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.627 -0.925 . . . . 0.0 110.486 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.4 -9.91 13.03 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 107.891 -2.083 . . . . 0.0 107.891 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 65' ' ' ASP . 99.0 mt-10 -134.05 161.19 35.51 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.5 t -109.14 109.06 19.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.77 -1.206 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -76.82 -177.82 4.54 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.389 1.09 . . . . 0.0 111.357 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.53 -41.27 94.11 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.705 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.91 -57.46 12.76 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -60.53 -39.95 89.73 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.018 . . . . 0.0 109.338 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -47.28 -40.52 16.94 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -69.93 -31.9 69.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.477 -0.764 . . . . 0.0 109.288 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.49 -59.83 4.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.091 -1.005 . . . . 0.0 109.369 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -54.15 -40.12 67.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.24 -45.27 96.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.665 ' HG ' ' N ' ' A' ' 79' ' ' MET . 80.3 p -67.04 -43.91 81.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.262 -0.898 . . . . 0.0 109.937 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.665 ' N ' ' HG ' ' A' ' 78' ' ' SER . 7.7 ttt -53.68 -41.31 66.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.084 -1.01 . . . . 0.0 108.66 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.52 -30.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -80.06 -45.23 18.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.0 m -70.21 -16.15 63.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.641 -0.662 . . . . 0.0 109.958 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.3 69.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.039 -1.038 . . . . 0.0 108.987 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.7 t -89.85 69.9 7.57 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -60.41 -41.25 93.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.09 -1.006 . . . . 0.0 109.48 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -81.61 136.62 35.54 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.528 -0.733 . . . . 0.0 109.075 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -69.81 148.28 49.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.965 -1.084 . . . . 0.0 108.6 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 51.6 p90 -60.95 126.08 26.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.781 -1.199 . . . . 0.0 109.429 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -112.98 -2.2 14.32 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -130.5 140.85 50.5 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.311 -0.868 . . . . 0.0 109.426 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.997 179.688 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.73 -36.68 72.38 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.086 -1.009 . . . . 0.0 109.711 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -34.07 70.35 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.09 -1.006 . . . . 0.0 109.779 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.21 -45.06 93.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.903 -1.123 . . . . 0.0 110.186 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.53 -40.08 90.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.947 . . . . 0.0 109.595 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.95 91.28 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.365 -0.834 . . . . 0.0 108.99 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.2 mtp -64.03 -50.68 67.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 0.0 109.479 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.94 -40.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 109.321 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.66 91.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.226 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.13 -46.89 88.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.154 -0.967 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.85 -51.23 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 120.801 -1.187 . . . . 0.0 109.794 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -58.31 -40.12 81.2 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.24 -40.08 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.434 -0.791 . . . . 0.0 109.322 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.49 -57.84 11.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.158 -0.964 . . . . 0.0 110.55 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -60.0 -43.27 95.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 111.987 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -64.26 -40.8 96.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.309 -1.494 . . . . 0.0 110.013 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.573 ' HH ' ' N ' ' B' ' 35' ' ' LEU . 68.5 t80 -68.3 -42.27 79.68 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.551 -0.859 . . . . 0.0 109.287 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p -69.81 -17.4 63.4 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.64 -0.663 . . . . 0.0 109.697 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.35 19.75 21.39 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.99 -40.02 95.45 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.763 -1.434 . . . . 0.0 107.973 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 23' ' ' ASP . 86.6 tt0 -118.83 153.35 34.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.71 -19.49 0.11 Allowed Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' B' ' 21' ' ' GLU . 94.3 m-20 -90.03 86.59 6.62 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.797 -1.414 . . . . 0.0 109.949 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.525 ' CB ' ' HZ2' ' B' ' 24' ' ' LYS . 0.4 OUTLIER -87.68 150.41 23.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 109.819 179.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 17.2 t60 75.99 32.83 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.711 0.767 . . . . 0.0 109.137 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -151.16 111.54 4.17 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.5 mm? -98.8 114.99 27.8 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.02 -1.05 . . . . 0.0 109.534 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.442 ' NZ ' ' NZ ' ' B' ' 29' ' ' LYS . 58.7 tttm -95.14 166.09 12.09 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.442 ' NZ ' ' NZ ' ' B' ' 28' ' ' LYS . 24.1 pttm -59.87 -39.93 86.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.923 -1.111 . . . . 0.0 109.826 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -65.16 -38.17 89.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.991 -1.068 . . . . 0.0 108.313 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.99 -31.69 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.7 tp -70.7 -40.32 72.95 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.497 0.665 . . . . 0.0 109.385 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.52 -40.56 97.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 109.157 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.99 -41.96 85.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.279 -0.888 . . . . 0.0 108.84 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.573 ' N ' ' HH ' ' B' ' 17' ' ' TYR . 56.3 tp -59.98 -48.58 81.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.444 -0.785 . . . . 0.0 109.583 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.25 -46.78 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.096 -1.002 . . . . 0.0 110.263 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.82 -43.63 97.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.049 -1.032 . . . . 0.0 110.765 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -86.71 -27.39 23.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.165 -0.959 . . . . 0.0 111.502 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -86.83 -74.8 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.875 -1.141 . . . . 0.0 110.361 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.0 121.62 41.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -125.14 -56.06 1.55 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -72.31 -20.03 61.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.435 -0.791 . . . . 0.0 109.461 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -101.31 0.6 37.49 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.399 -0.813 . . . . 0.0 110.0 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.88 140.42 36.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -76.47 147.88 37.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 108.752 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -73.72 138.35 44.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.189 -0.945 . . . . 0.0 109.208 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -111.81 119.89 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.99 -20.6 17.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 54.3 mp0 -101.07 128.79 46.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.039 -1.038 . . . . 0.0 110.218 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.93 -32.36 71.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.548 -0.72 . . . . 0.0 110.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.71 -29.53 66.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.101 -0.999 . . . . 0.0 109.264 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.7 t -70.02 -36.75 70.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.96 -40.18 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -61.06 -39.98 91.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.845 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.15 -42.62 95.29 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.3 -40.72 84.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.78 -41.11 96.1 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.657 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.77 -46.33 90.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -40.67 63.81 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -79.44 49.7 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.794 -1.191 . . . . 0.0 110.744 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.96 -38.35 82.22 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 20.3 p-10 -60.0 -33.03 71.42 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.377 0.608 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.454 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 96.76 83.79 1.69 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.535 ' C ' ' H ' ' B' ' 67' ' ' GLU . 98.7 m-20 -142.64 -28.88 0.58 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.769 -0.842 . . . . 0.0 110.53 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.65 10.41 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.535 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -133.6 161.6 34.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.0 t -109.33 109.44 20.33 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.746 -1.221 . . . . 0.0 109.38 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -77.14 -177.67 4.64 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 122.304 1.049 . . . . 0.0 111.444 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.49 -41.79 94.97 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.636 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.83 -57.42 12.98 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.9 mt-10 -60.38 -40.02 89.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.988 -1.07 . . . . 0.0 109.355 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -46.99 -40.77 15.13 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.0 -31.81 69.68 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.47 -0.769 . . . . 0.0 109.252 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -63.71 -59.78 4.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.965 -1.084 . . . . 0.0 109.496 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.87 -39.92 66.12 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.84 -44.62 98.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.407 ' O ' ' N ' ' B' ' 81' ' ' THR . 83.1 p -67.52 -43.79 79.95 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.354 -0.841 . . . . 0.0 109.797 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.8 ttt -52.87 -42.39 65.2 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 108.852 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.24 -30.14 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 78' ' ' SER . 20.4 m -80.23 -44.55 19.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.0 m -70.54 -15.9 62.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.616 -0.677 . . . . 0.0 109.793 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.45 68.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.088 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.0 t -90.09 69.88 7.31 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -60.38 -40.49 91.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.191 -0.943 . . . . 0.0 109.401 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -82.4 136.83 34.88 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.485 -0.759 . . . . 0.0 109.064 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -69.94 147.78 49.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.093 -1.005 . . . . 0.0 108.781 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.488 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 51.5 p90 -60.8 126.09 26.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.976 -1.077 . . . . 0.0 109.167 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -113.45 -2.0 14.03 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -130.88 140.66 50.24 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.257 -0.902 . . . . 0.0 109.199 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.068 -0.967 . . . . 0.0 108.763 179.689 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.307 0.575 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.29 -32.67 74.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.91 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.94 -36.26 75.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.265 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.91 -40.4 97.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.95 -38.51 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.825 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.968 . . . . 0.0 109.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.8 mtp -66.18 -48.65 70.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.86 -37.44 71.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.646 -0.659 . . . . 0.0 109.323 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 90.98 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.97 -1.081 . . . . 0.0 109.284 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.12 -46.38 89.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.155 -0.966 . . . . 0.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.01 -49.81 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.902 -1.124 . . . . 0.0 109.344 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.8 -40.04 86.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.93 -40.35 78.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.821 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.29 -56.59 15.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.596 -1.315 . . . . 0.0 111.025 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.132 -0.98 . . . . 0.0 111.57 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -67.54 -39.98 85.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.19 -1.569 . . . . 0.0 109.69 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -76.42 -44.21 36.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.172 -0.955 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -73.22 -20.09 60.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.584 -1.322 . . . . 0.0 109.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.81 19.02 23.06 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.7 -44.74 18.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.925 -1.338 . . . . 0.0 109.04 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 15.5 tm-20 -169.33 152.78 5.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.162 -0.961 . . . . 0.0 109.302 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 86.72 90.33 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 48.85 -140.29 0.71 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -1.131 . . . . 0.0 108.976 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -131.17 -39.0 1.2 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.254 -0.904 . . . . 0.0 110.266 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -113.54 12.51 18.6 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.298 -0.876 . . . . 0.0 110.944 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -105.84 121.44 44.07 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 108.942 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.26 124.57 42.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.294 -0.879 . . . . 0.0 109.852 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -90.66 162.58 14.88 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -55.96 -39.01 71.14 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -60.1 -36.47 77.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.095 -1.003 . . . . 0.0 109.202 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.71 -31.24 71.05 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.418 -0.801 . . . . 0.0 109.189 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.03 -39.59 75.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.483 -0.761 . . . . 0.0 109.63 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.61 -43.99 97.43 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.317 -0.864 . . . . 0.0 110.532 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.04 -44.48 69.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.985 -1.072 . . . . 0.0 109.943 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.03 -49.68 76.71 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.42 -0.8 . . . . 0.0 108.966 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 40' ' ' LEU . 83.2 mt -60.04 -48.92 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.588 -0.695 . . . . 0.0 110.357 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -60.63 -40.02 90.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 110.595 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.29 -42.39 45.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.089 -1.007 . . . . 0.0 110.27 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -88.45 -75.15 0.43 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.367 -0.833 . . . . 0.0 110.994 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 mt -92.43 102.72 15.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.071 -1.018 . . . . 0.0 110.333 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p -140.48 -49.57 0.45 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -83.36 0.88 44.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.43 -16.19 11.98 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.1 tp -133.59 154.99 50.45 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.09 140.55 56.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.282 -0.887 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.18 148.8 51.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 109.83 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.4 HG23 HD12 ' A' ' 47' ' ' ILE . 31.3 mm -72.04 128.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 108.941 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -94.64 -72.23 0.63 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.262 -0.899 . . . . 0.0 110.332 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -109.99 152.59 25.7 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.403 -0.811 . . . . 0.0 110.205 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.0 tt0 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.398 -0.814 . . . . 0.0 109.054 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.25 -36.54 9.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.17 -0.956 . . . . 0.0 109.597 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.56 -34.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' GLN . 62.5 t -70.83 -41.61 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.613 -0.68 . . . . 0.0 109.534 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.08 -40.24 88.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.269 -0.894 . . . . 0.0 109.539 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.27 -49.4 77.22 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.27 -40.93 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.04 -45.37 92.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.274 -0.891 . . . . 0.0 108.887 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.13 -49.28 78.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.408 -0.807 . . . . 0.0 109.137 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -68.94 -39.99 79.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.537 -0.727 . . . . 0.0 109.52 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.8 -40.03 76.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.333 -0.854 . . . . 0.0 109.552 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 49.2 t0 -66.43 102.48 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.185 -0.947 . . . . 0.0 109.599 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.92 -40.86 98.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.378 -0.826 . . . . 0.0 110.641 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 17.3 p-10 -98.19 -2.74 39.1 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.145 -0.972 . . . . 0.0 110.891 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 27.88 73.29 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.684 -1.246 . . . . 0.0 110.101 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 35.6 p-10 -73.38 -5.41 39.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.128 -1.219 . . . . 0.0 110.362 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.8 76.75 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 68' ' ' CYS . 15.7 tm-20 -157.48 158.36 35.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 67' ' ' GLU . 79.2 m -113.95 104.47 12.19 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.928 -1.107 . . . . 0.0 109.397 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 12.9 t70 -71.78 175.64 5.57 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 122.224 1.011 . . . . 0.0 111.324 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.465 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.5 t80 -60.97 -45.64 93.97 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.684 0.754 . . . . 0.0 109.129 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.54 HE22 ' CG2' ' B' ' 82' ' ' THR . 90.4 mm-40 -59.93 -55.16 37.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 109.098 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.9 mt-10 -59.92 -42.05 93.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.76 -1.212 . . . . 0.0 108.602 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -46.8 -39.04 11.09 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 tpt -67.52 -32.3 73.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.2 -54.99 33.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -52.4 -39.94 61.52 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.63 -41.05 86.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.2 p -71.82 -48.05 48.98 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.532 -0.73 . . . . 0.0 110.307 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -50.79 -39.96 54.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.139 -0.976 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.85 -27.83 39.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -79.49 -47.33 15.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.623 ' CG2' HE22 ' B' ' 71' ' ' GLN . 40.2 p -69.94 -13.78 62.41 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.404 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.86 -47.17 31.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 108.956 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -77.74 140.34 39.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.533 -0.73 . . . . 0.0 109.339 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -73.72 131.5 41.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.245 -0.909 . . . . 0.0 109.471 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.27 -30.91 71.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.241 -0.912 . . . . 0.0 109.514 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 56.5 t80 -70.2 -2.46 13.26 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.9 t80 55.82 31.05 16.9 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 139.99 57.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.558 -0.714 . . . . 0.0 109.658 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -98.27 124.63 42.98 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.366 -0.834 . . . . 0.0 109.327 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 50.1 mp0 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.373 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.387 0.613 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.7 -32.25 73.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.332 -0.855 . . . . 0.0 109.836 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.03 -36.46 75.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.08 -1.012 . . . . 0.0 110.271 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.72 -40.69 97.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.251 -0.906 . . . . 0.0 109.585 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.72 -38.41 91.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 109.773 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.13 90.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -66.23 -48.49 70.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.406 -0.809 . . . . 0.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -60.08 -37.29 72.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.665 -0.647 . . . . 0.0 109.275 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.95 90.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.983 -1.073 . . . . 0.0 109.304 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.16 -46.49 89.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.202 -0.936 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -59.98 -49.97 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 120.918 -1.114 . . . . 0.0 109.232 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.53 -39.98 85.7 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.89 -40.23 78.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.393 -0.817 . . . . 0.0 109.821 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.54 -56.51 15.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.302 . . . . 0.0 111.005 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.174 -0.954 . . . . 0.0 111.508 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -67.49 -40.0 85.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.189 -1.569 . . . . 0.0 109.747 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.29 -44.21 38.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.327 -0.858 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.6 p -73.41 -19.94 60.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.618 -1.301 . . . . 0.0 109.897 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.59 18.88 22.58 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -80.54 -44.65 18.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.882 -1.364 . . . . 0.0 109.216 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.485 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.5 tm-20 -169.46 152.87 4.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.317 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.485 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 86.56 90.34 0.96 Allowed Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 48.82 -140.09 0.72 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.195 -1.179 . . . . 0.0 109.038 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -131.31 -39.07 1.17 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.123 -0.986 . . . . 0.0 110.256 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -113.62 12.38 18.47 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.335 -0.853 . . . . 0.0 110.956 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -105.81 121.3 43.77 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.039 -1.038 . . . . 0.0 109.004 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.16 124.41 42.71 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.303 -0.873 . . . . 0.0 109.873 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -90.51 162.48 15.02 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -55.78 -39.22 70.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.004 -1.06 . . . . 0.0 109.23 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 97.1 p -60.04 -36.14 76.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.947 -1.096 . . . . 0.0 109.198 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.04 -31.19 70.68 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.327 -0.858 . . . . 0.0 109.112 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.97 -39.52 75.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.505 -0.747 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.9 -43.93 97.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 110.445 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -69.93 -44.53 69.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.065 -1.022 . . . . 0.0 110.005 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.04 -49.51 77.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.344 -0.847 . . . . 0.0 109.092 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.432 ' O ' ' O ' ' B' ' 40' ' ' LEU . 84.9 mt -60.13 -49.02 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.266 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -60.66 -40.07 90.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.111 -0.993 . . . . 0.0 110.568 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -76.2 -42.23 46.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -88.74 -75.17 0.44 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.322 -0.861 . . . . 0.0 110.866 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.6 mt -92.5 102.72 15.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.302 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.5 p -140.5 -49.52 0.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -83.37 0.92 43.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.636 -0.665 . . . . 0.0 109.902 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.46 -16.08 11.97 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -133.63 154.87 50.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 109.289 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -59.98 140.37 56.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.341 -0.849 . . . . 0.0 109.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.02 148.56 51.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.312 -0.867 . . . . 0.0 109.898 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.81 128.0 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.908 . . . . 0.0 109.087 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.76 -72.0 0.64 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.277 -0.889 . . . . 0.0 110.266 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -109.97 152.55 25.73 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.437 -0.789 . . . . 0.0 110.297 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.1 tt0 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.381 -0.824 . . . . 0.0 108.962 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.22 -36.76 9.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 109.569 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.7 t -67.42 -34.34 68.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 108.37 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' GLN . 53.0 t -70.83 -41.59 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.687 -0.633 . . . . 0.0 109.543 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -59.99 -40.33 88.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.666 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.22 -49.55 76.69 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.05 -40.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 tpt -63.08 -45.5 91.83 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.295 -0.878 . . . . 0.0 108.818 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.97 -49.62 76.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.005 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.82 -39.91 79.76 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.602 -0.686 . . . . 0.0 109.54 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.67 -40.43 76.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.543 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 49.3 t0 -66.25 102.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.026 -1.046 . . . . 0.0 109.646 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.77 -40.96 98.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.672 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 17.2 p-10 -98.29 -2.51 39.33 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.045 -1.034 . . . . 0.0 110.911 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 27.73 73.06 Favored Glycine 0 N--CA 1.494 2.529 0 C-N-CA 119.689 -1.243 . . . . 0.0 110.224 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 35.1 p-10 -73.05 -5.65 40.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.157 -1.202 . . . . 0.0 110.244 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.14 24.6 75.34 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 68' ' ' CYS . 15.7 tm-20 -158.07 158.09 34.12 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 67' ' ' GLU . 82.0 m -113.63 104.52 12.32 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.856 -1.153 . . . . 0.0 109.403 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.0 t70 -72.05 175.66 5.75 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.977 0.894 . . . . 0.0 111.319 -178.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 62.3 t80 -60.71 -45.84 92.68 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.698 0.761 . . . . 0.0 109.198 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.623 HE22 ' CG2' ' A' ' 82' ' ' THR . 90.8 mm-40 -59.82 -55.1 38.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.296 -0.877 . . . . 0.0 109.211 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -60.08 -41.96 93.58 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.843 -1.16 . . . . 0.0 108.523 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -46.89 -39.04 11.39 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.3 tpt -67.5 -32.22 72.9 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.34 -54.96 32.94 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -52.2 -39.98 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -41.19 87.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.472 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.3 p -71.79 -47.98 49.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.467 -0.771 . . . . 0.0 110.221 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.5 ttt -50.74 -40.05 53.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 109.069 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.78 -27.75 39.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.472 ' N ' ' O ' ' B' ' 78' ' ' SER . 22.0 m -79.52 -47.55 15.37 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.54 ' CG2' HE22 ' A' ' 71' ' ' GLN . 41.5 p -69.85 -13.68 62.38 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.519 -0.738 . . . . 0.0 109.452 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.62 -47.45 32.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.284 -0.885 . . . . 0.0 108.911 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.4 t -77.63 140.15 39.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.616 -0.678 . . . . 0.0 109.416 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -73.53 131.68 42.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 0.0 109.442 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -65.64 -30.62 71.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.29 -0.881 . . . . 0.0 109.52 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.529 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 56.5 t80 -70.31 -2.57 13.9 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 25.9 t80 55.96 30.91 16.91 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.02 140.04 57.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.54 -0.725 . . . . 0.0 109.684 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -98.43 124.75 43.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.406 -0.809 . . . . 0.0 109.179 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 50.0 mp0 . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.383 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -36.73 77.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.979 . . . . 0.0 110.3 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.89 -35.82 77.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.797 -1.189 . . . . 0.0 110.075 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.23 -40.02 92.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.0 -35.39 74.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.599 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.91 75.84 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.279 -0.888 . . . . 0.0 109.63 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.69 -41.34 83.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.034 -1.041 . . . . 0.0 109.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.01 -39.97 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.907 . . . . 0.0 109.484 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.1 85.37 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.116 -0.99 . . . . 0.0 109.668 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -60.04 -46.15 90.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.988 -1.07 . . . . 0.0 109.64 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 11' ' ' ILE . 85.5 mt -60.04 -51.4 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.917 -1.115 . . . . 0.0 109.675 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.5 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 83.2 m-20 -64.94 -41.8 95.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.173 -0.955 . . . . 0.0 109.646 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.94 -43.83 79.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.257 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.31 -54.36 46.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 110.765 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.93 -41.46 91.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.957 . . . . 0.0 112.154 -176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.502 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 1.1 mp0 -69.83 -40.36 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.039 -1.663 . . . . 0.0 109.661 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -72.81 -44.32 61.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.2 -0.938 . . . . 0.0 109.839 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.7 t -71.39 -22.74 61.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.017 -1.052 . . . . 0.0 110.739 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.06 20.32 33.69 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -70.41 -39.56 74.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.978 -1.307 . . . . 0.0 109.327 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.9 tt0 -165.62 160.94 18.0 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.09 175.62 40.83 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 89.0 m-20 -49.94 -99.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.993 . . . . 0.0 109.83 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 87.9 tttt -173.15 127.55 0.45 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.178 -0.952 . . . . 0.0 109.912 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.9 t-80 84.39 0.38 0.91 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 122.038 -0.414 . . . . 0.0 110.157 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -110.1 119.48 39.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.33 -0.856 . . . . 0.0 109.314 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mp -96.27 120.88 37.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.999 -1.063 . . . . 0.0 109.472 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -91.64 162.0 14.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.494 0.664 . . . . 0.0 110.152 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HZ2' ' N ' ' A' ' 54' ' ' ASP . 38.0 tttp -52.21 -47.61 65.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.541 -0.725 . . . . 0.0 109.636 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.186 -0.946 . . . . 0.0 109.791 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.4 mt-10 -69.69 -39.74 76.78 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.922 0.868 . . . . 0.0 108.74 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.97 -48.92 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.366 0.603 . . . . 0.0 109.815 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.29 -40.07 89.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.339 -0.851 . . . . 0.0 110.602 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.0 -45.6 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.02 -49.51 77.39 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.321 -0.862 . . . . 0.0 110.374 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 36' ' ' ILE . 96.7 mt -60.05 -47.12 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 110.206 -178.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -75.06 -23.46 58.07 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.341 -0.85 . . . . 0.0 110.769 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -91.39 -0.46 57.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.849 -1.157 . . . . 0.0 111.615 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.04 -41.74 0.18 Allowed 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.593 -1.317 . . . . 0.0 111.169 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mp -90.18 0.8 57.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.013 -1.055 . . . . 0.0 110.714 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.3 t -60.02 -39.45 85.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.873 -1.142 . . . . 0.0 108.851 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -67.56 -21.61 65.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.406 -0.809 . . . . 0.0 110.317 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -103.19 -18.27 14.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.085 -1.009 . . . . 0.0 109.11 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -138.84 135.16 34.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.394 -0.816 . . . . 0.0 109.64 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.39 86.65 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 54.0 tt0 -171.7 -130.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.355 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.2 mt 39.96 59.83 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 109.272 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -93.96 -5.78 46.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.351 -0.843 . . . . 0.0 110.202 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.04 136.47 54.55 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.352 -0.842 . . . . 0.0 110.049 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.46 -40.05 89.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.476 -0.765 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -53.71 -29.52 39.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 109.783 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.45 -37.49 77.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.205 -0.934 . . . . 0.0 108.922 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.33 -41.25 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.55 ' N ' ' HZ2' ' A' ' 29' ' ' LYS . 61.5 t0 -59.96 -43.58 94.96 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.933 . . . . 0.0 110.372 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.24 -40.78 95.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 108.976 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.88 -40.97 86.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.71 -0.619 . . . . 0.0 109.864 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 35.1 ttm -60.01 -49.52 77.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.03 -42.08 93.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.171 -0.956 . . . . 0.0 110.278 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.342 -0.848 . . . . 0.0 109.93 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.49 -39.95 70.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.51 -0.744 . . . . 0.0 110.596 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.92 102.2 2.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.98 -1.075 . . . . 0.0 110.518 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.11 -40.74 94.92 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.428 -0.795 . . . . 0.0 109.218 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -87.88 -14.04 40.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 110.485 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.95 30.02 70.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -74.27 -2.8 26.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -1.212 . . . . 0.0 110.119 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 5.06 89.62 Favored Glycine 0 N--CA 1.492 2.368 0 C-N-CA 119.803 -1.189 . . . . 0.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -140.1 159.99 40.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.075 -1.25 . . . . 0.0 108.158 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.7 t -102.06 106.46 17.35 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.932 -1.105 . . . . 0.0 109.299 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -73.32 178.95 4.2 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.885 0.85 . . . . 0.0 110.821 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 56.9 t80 -61.2 -49.2 78.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.574 0.702 . . . . 0.0 109.691 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.48 -54.05 50.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.057 -1.027 . . . . 0.0 108.885 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -59.99 -42.94 95.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.936 -1.103 . . . . 0.0 108.708 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -50.18 -39.96 45.43 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -68.66 -32.23 71.92 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -64.24 -57.87 8.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 108.838 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.84 -35.48 10.32 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.96 -41.65 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 75' ' ' ALA . 52.5 p -73.2 -48.65 33.31 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 75' ' ' ALA . 46.6 ttm -43.73 -40.04 4.04 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.5 t -55.67 -84.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.9 p -42.18 -52.77 4.27 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.747 -1.221 . . . . 0.0 113.066 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.4 p -60.03 -31.99 70.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.223 -1.548 . . . . 0.0 110.399 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.45 -35.88 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.118 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 93.1 m -88.11 130.56 34.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.611 -0.681 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -80.52 152.35 28.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.908 . . . . 0.0 109.141 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.16 141.38 58.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.08 -1.013 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.517 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 46.8 t80 -166.67 5.89 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.435 -0.791 . . . . 0.0 109.74 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' A' ' 87' ' ' PHE . 33.9 t80 49.08 -178.02 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 0.0 109.832 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -90.3 146.6 24.09 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.16 -0.962 . . . . 0.0 109.437 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -139.76 148.91 42.92 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.205 -0.934 . . . . 0.0 109.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.282 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.02 -36.76 77.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.128 -0.982 . . . . 0.0 110.48 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.13 -35.56 76.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.775 -1.203 . . . . 0.0 109.909 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.27 -40.02 92.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.092 -1.005 . . . . 0.0 109.08 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.03 -35.07 74.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.719 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.331 -0.856 . . . . 0.0 109.69 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.94 -41.36 82.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.092 -1.005 . . . . 0.0 110.12 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.93 -40.08 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.315 -0.865 . . . . 0.0 109.477 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.17 85.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.071 -1.018 . . . . 0.0 109.607 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.09 -46.09 90.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.966 -1.084 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.421 HG21 HD12 ' B' ' 11' ' ' ILE . 85.7 mt -60.04 -51.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.659 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.513 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 83.2 m-20 -64.99 -41.79 95.1 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 0.0 109.66 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.0 t -70.02 -43.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -60.37 -54.25 47.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 110.724 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.01 -41.23 91.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.113 -0.992 . . . . 0.0 112.239 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.1 mp0 -70.02 -40.19 75.36 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.068 -1.645 . . . . 0.0 109.742 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -72.97 -44.09 61.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 109.833 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.9 t -71.43 -22.92 61.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.22 20.43 33.6 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -70.52 -39.27 74.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.324 . . . . 0.0 109.35 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.46 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 87.9 tt0 -165.58 160.77 17.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 109.389 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 92.95 175.82 41.03 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLY . 88.9 m-20 -50.03 -99.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.466 -1.02 . . . . 0.0 109.824 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 85.8 tttt -173.5 127.65 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.889 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.528 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.9 t-80 84.3 0.49 0.93 Allowed 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 120.979 0.419 . . . . 0.0 110.176 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -110.17 119.27 38.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.331 -0.856 . . . . 0.0 109.314 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mp -96.31 120.73 37.14 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.929 -1.107 . . . . 0.0 109.402 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -91.69 162.24 14.57 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.512 0.672 . . . . 0.0 110.301 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.507 ' NZ ' ' N ' ' B' ' 54' ' ' ASP . 39.2 tttp -52.16 -47.85 65.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 109.513 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.171 -0.956 . . . . 0.0 109.684 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 98.9 mt-10 -69.55 -39.85 77.18 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.932 0.872 . . . . 0.0 108.683 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.99 -48.83 80.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.366 0.603 . . . . 0.0 109.906 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.34 -40.23 89.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.338 -0.851 . . . . 0.0 110.444 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.04 -45.67 92.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.96 -49.52 77.35 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.43 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.02 -47.05 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.855 . . . . 0.0 110.328 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -75.14 -23.61 57.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.177 -0.952 . . . . 0.0 110.733 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -91.21 -0.58 57.72 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.856 -1.153 . . . . 0.0 111.673 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -146.99 -41.82 0.18 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.533 -1.354 . . . . 0.0 111.131 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mp -90.06 0.85 56.91 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.003 -1.061 . . . . 0.0 110.721 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -60.12 -39.41 86.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.839 -1.163 . . . . 0.0 108.846 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.73 -21.44 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -103.24 -18.06 15.06 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.093 -1.005 . . . . 0.0 109.172 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -139.24 135.29 33.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.404 -0.81 . . . . 0.0 109.549 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.27 86.68 2.49 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 47' ' ' ILE . 54.0 tt0 -171.75 -130.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.44 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' B' ' 46' ' ' GLU . 40.1 mt 39.95 59.67 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.575 -0.703 . . . . 0.0 109.305 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -93.95 -5.54 47.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.23 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -120.0 136.35 54.58 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.397 -0.815 . . . . 0.0 109.991 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.45 -39.94 89.34 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.452 -0.78 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -53.74 -29.41 39.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.086 -1.009 . . . . 0.0 109.861 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.52 -37.53 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 108.941 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.5 -40.84 77.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.507 ' N ' ' NZ ' ' B' ' 29' ' ' LYS . 62.3 t0 -60.01 -43.96 94.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.16 -40.93 95.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 108.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.91 -40.74 86.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.662 -0.649 . . . . 0.0 109.896 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.96 -49.67 76.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.85 -1.156 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.96 -42.07 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.16 -0.962 . . . . 0.0 110.296 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.06 -39.95 75.37 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.95 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.19 -41.22 70.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.433 -0.792 . . . . 0.0 110.402 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.49 102.14 1.74 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.766 -1.209 . . . . 0.0 110.654 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.18 -40.65 94.72 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.384 -0.822 . . . . 0.0 109.24 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.91 -14.14 40.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.321 -0.862 . . . . 0.0 110.511 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.05 70.2 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 119.811 -1.185 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 p-10 -74.39 -2.78 26.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.115 -1.227 . . . . 0.0 110.172 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.92 5.03 89.68 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.213 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -140.22 159.96 41.02 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.235 . . . . 0.0 108.26 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.89 106.42 17.38 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.887 -1.133 . . . . 0.0 109.341 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.1 t70 -73.08 179.07 3.97 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.891 0.853 . . . . 0.0 110.892 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.463 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 56.9 t80 -61.55 -48.9 78.89 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.632 0.73 . . . . 0.0 109.656 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.55 -54.1 49.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.035 -1.041 . . . . 0.0 108.886 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.4 mt-10 -60.02 -43.07 95.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.953 -1.092 . . . . 0.0 108.608 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -49.95 -40.05 42.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.3 tpt -68.67 -31.98 71.47 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -64.65 -57.57 8.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.148 -0.97 . . . . 0.0 108.871 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.86 -35.41 10.31 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.99 -41.83 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 75' ' ' ALA . 52.5 p -73.06 -48.67 33.94 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.464 ' N ' ' O ' ' B' ' 75' ' ' ALA . 48.1 ttm -43.77 -40.0 4.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.71 -84.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 75.9 p -42.06 -52.81 4.14 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.719 -1.238 . . . . 0.0 113.007 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 80.6 p -60.14 -32.1 70.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.237 -1.54 . . . . 0.0 110.35 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.93 68.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.108 -0.995 . . . . 0.0 109.108 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m -88.0 130.49 34.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.722 . . . . 0.0 109.522 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.4 p-80 -80.64 152.17 28.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.234 -0.916 . . . . 0.0 109.166 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.03 141.29 58.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.117 -0.989 . . . . 0.0 109.354 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 46.9 t80 -166.56 5.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.351 -0.843 . . . . 0.0 109.738 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 87' ' ' PHE . 32.4 t80 49.4 -177.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.759 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' B' ' 88' ' ' PHE . 78.6 mm-40 -90.7 146.61 23.87 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.175 -0.953 . . . . 0.0 109.372 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -140.01 148.83 42.41 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.325 -0.859 . . . . 0.0 109.528 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.404 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.646 ' HG ' ' H ' ' A' ' 4' ' ' GLU . 59.6 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.273 0.559 . . . . 0.0 109.536 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.01 -33.59 72.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -32.73 67.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.958 . . . . 0.0 109.311 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.646 ' H ' ' HG ' ' A' ' 1' ' ' SER . 53.4 tp10 -60.96 -46.12 92.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.98 -40.02 96.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.418 -0.801 . . . . 0.0 109.857 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.28 89.97 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.143 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.1 ttm -61.68 -49.47 76.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.94 . . . . 0.0 109.736 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -39.98 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.28 90.7 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.964 -1.085 . . . . 0.0 108.206 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -50.88 72.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.717 . . . . 0.0 110.126 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.07 -49.91 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.925 -1.109 . . . . 0.0 109.489 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -57.4 -40.03 77.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.044 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.371 -0.831 . . . . 0.0 110.331 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -62.14 -58.31 8.26 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.889 -1.132 . . . . 0.0 111.177 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -59.95 -40.79 90.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.827 -1.171 . . . . 0.0 111.942 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.39 -40.02 95.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.295 -1.503 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -72.08 -46.56 56.31 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.543 -0.723 . . . . 0.0 109.736 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.0 p -72.93 -19.57 61.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 110.137 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.41 15.88 55.07 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -78.27 -44.14 26.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.054 -1.263 . . . . 0.0 109.26 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -151.09 130.93 13.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 109.237 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.52 -179.91 36.19 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.68 149.88 38.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -1.124 . . . . 0.0 110.151 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 61.7 mttm -70.06 146.49 50.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 109.514 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER 81.23 21.83 0.35 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.614 0.721 . . . . 0.0 109.332 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -151.06 107.86 3.54 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 10.0 mp -96.51 120.38 36.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.107 -0.996 . . . . 0.0 109.861 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 14.3 ttmm -92.43 166.83 12.36 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.431 -0.793 . . . . 0.0 109.593 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -52.41 -42.76 64.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.808 -1.182 . . . . 0.0 109.325 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -59.97 -39.68 86.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.282 -0.886 . . . . 0.0 108.979 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 28' ' ' LYS . 45.1 mt-10 -68.05 -39.04 83.1 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -45.63 92.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.575 -0.703 . . . . 0.0 109.493 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.945 -1.097 . . . . 0.0 109.468 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.19 -43.51 98.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -48.59 81.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.423 -0.798 . . . . 0.0 109.435 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.9 -40.22 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.917 -1.114 . . . . 0.0 110.24 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -75.36 -20.79 58.8 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.32 -0.862 . . . . 0.0 111.693 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -60.65 -61.71 2.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 111.891 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -145.42 -14.49 0.5 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.62 -1.3 . . . . 0.0 110.443 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.6 mm? -82.12 111.41 18.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.687 -1.258 . . . . 0.0 109.086 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 t -156.05 -35.32 0.09 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -64.93 -37.37 87.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.528 -0.733 . . . . 0.0 109.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -98.98 -2.76 36.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.329 -0.857 . . . . 0.0 109.787 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.66 140.72 47.99 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.389 -0.82 . . . . 0.0 109.31 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -72.72 149.83 43.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.114 -0.991 . . . . 0.0 108.596 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.63 138.59 58.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.111 -0.993 . . . . 0.0 109.63 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.415 HG21 HD11 ' A' ' 47' ' ' ILE . 94.3 mt -107.39 120.11 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.01 10.45 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.344 -0.847 . . . . 0.0 109.685 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -120.9 137.62 54.5 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.506 -0.746 . . . . 0.0 109.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' A' ' 53' ' ' VAL . 7.2 tt0 -61.04 -34.25 74.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.125 -0.984 . . . . 0.0 108.797 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLN . 98.1 mt-10 -45.74 -29.94 1.45 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.37 -0.831 . . . . 0.0 108.852 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.71 -34.33 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.6 t -65.07 -45.1 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.97 91.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -0.853 . . . . 0.0 109.886 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.06 -47.95 83.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.028 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.27 -41.05 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.518 -0.739 . . . . 0.0 109.661 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' ASP . 78.3 mtp -68.44 -39.97 81.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.09 -1.006 . . . . 0.0 109.953 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.14 -50.01 75.4 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.141 -0.975 . . . . 0.0 109.304 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.55 -40.01 77.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.463 -0.773 . . . . 0.0 109.615 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 tp -70.13 -40.01 75.1 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 56.1 t0 -74.7 70.39 1.85 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 110.832 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -70.57 -32.9 70.47 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 6.8 p-10 -60.0 -39.9 87.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.795 -0.566 . . . . 0.0 110.826 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 88.87 89.23 1.18 Allowed Glycine 0 N--CA 1.486 2.021 0 N-CA-C 107.739 -2.144 . . . . 0.0 107.739 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 18.5 p-10 -160.82 -16.59 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.637 -0.919 . . . . 0.0 111.064 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 80.36 0.07 85.84 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 98.6 mt-10 -140.48 166.37 24.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.55 -0.971 . . . . 0.0 108.808 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.6 m -103.82 102.89 12.7 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.982 -1.073 . . . . 0.0 108.915 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -70.55 177.11 3.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.582 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.45 -50.16 74.7 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.494 0.664 . . . . 0.0 110.158 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -60.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 109.218 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 75' ' ' ALA . 86.5 tt0 -60.02 -43.61 95.14 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.464 -1.397 . . . . 0.0 107.818 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.6 -39.97 18.2 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.07 -29.72 71.04 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.149 -0.97 . . . . 0.0 108.734 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.16 -55.32 22.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -56.29 -40.44 74.29 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.13 -45.13 99.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.646 ' HG ' ' N ' ' A' ' 79' ' ' MET . 78.8 p -68.81 -44.26 73.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 110.088 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.646 ' N ' ' HG ' ' A' ' 78' ' ' SER . 59.7 mmm -57.55 -40.02 77.97 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.0 -28.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.5 m -83.97 -45.2 13.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -72.97 -18.05 61.41 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.26 0.553 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -84.42 -47.46 10.64 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p -69.41 132.33 46.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.145 -0.972 . . . . 0.0 110.46 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.45 146.62 30.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.509 -0.744 . . . . 0.0 109.124 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -60.48 134.31 56.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.165 -0.959 . . . . 0.0 110.288 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -94.24 -1.71 53.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.471 -0.768 . . . . 0.0 109.199 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -86.82 21.98 2.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.163 -0.961 . . . . 0.0 109.878 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.21 136.47 58.04 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 109.008 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -155.7 160.01 40.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.22 -0.925 . . . . 0.0 109.787 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.605 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.362 0.601 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.08 -33.52 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 0.0 109.635 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -32.84 67.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.162 -0.961 . . . . 0.0 109.368 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.75 -46.38 90.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.036 -1.04 . . . . 0.0 109.441 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.86 -40.05 96.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 109.833 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.28 89.9 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.111 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.5 ttm -61.84 -49.35 76.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.619 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.456 -0.777 . . . . 0.0 109.352 -178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.27 90.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.891 -1.131 . . . . 0.0 108.26 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -50.85 72.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.447 -0.783 . . . . 0.0 110.212 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.96 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.903 -1.123 . . . . 0.0 109.482 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -57.34 -40.01 77.11 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.488 -0.758 . . . . 0.0 109.038 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.91 -40.08 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 110.262 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.32 -58.13 8.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.861 -1.15 . . . . 0.0 111.228 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -60.03 -40.73 90.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.868 -1.145 . . . . 0.0 112.066 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.47 -40.02 94.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.319 -1.488 . . . . 0.0 109.975 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -71.94 -46.55 57.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.532 -0.73 . . . . 0.0 109.779 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.177 -0.952 . . . . 0.0 110.211 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.54 15.72 55.98 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -78.24 -44.17 26.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.257 . . . . 0.0 109.29 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -151.12 130.93 13.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.253 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.62 -179.85 36.02 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.86 149.74 37.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.306 -1.114 . . . . 0.0 110.101 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.607 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 61.3 mttm -70.0 146.57 50.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.485 -0.759 . . . . 0.0 109.47 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.607 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER 81.4 21.59 0.34 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.561 0.696 . . . . 0.0 109.301 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -150.78 107.56 3.54 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' B' ' 27' ' ' LEU . 10.0 mp -96.41 120.42 36.69 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.138 -0.976 . . . . 0.0 109.884 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 14.3 ttmm -92.47 166.91 12.3 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.563 -0.71 . . . . 0.0 109.58 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -52.6 -42.8 64.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.815 -1.178 . . . . 0.0 109.244 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.01 -39.56 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.881 . . . . 0.0 108.93 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' B' ' 28' ' ' LYS . 45.2 mt-10 -68.01 -39.21 83.21 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -45.84 92.32 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 109.551 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.98 . . . . 0.0 109.492 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.21 -43.3 99.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.347 -0.846 . . . . 0.0 109.357 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.63 -48.51 81.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.425 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.18 -39.96 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 110.262 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -75.32 -20.89 58.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -0.891 . . . . 0.0 111.643 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.63 -61.7 2.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.698 -1.251 . . . . 0.0 111.867 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -145.4 -14.44 0.5 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.75 -1.219 . . . . 0.0 110.474 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 3.4 mm? -82.39 111.8 18.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.845 -1.159 . . . . 0.0 109.058 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -156.29 -35.15 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -65.1 -37.29 87.03 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.598 -0.688 . . . . 0.0 109.257 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -99.11 -2.5 36.84 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.839 . . . . 0.0 109.688 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.0 140.63 48.28 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.371 -0.831 . . . . 0.0 109.339 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.68 149.62 43.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 108.694 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.36 138.7 58.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.116 -0.99 . . . . 0.0 109.658 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.416 HG21 HD12 ' B' ' 47' ' ' ILE . 96.6 mt -107.48 120.19 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.0 10.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.336 -0.853 . . . . 0.0 109.671 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -120.85 137.53 54.52 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.513 -0.742 . . . . 0.0 109.85 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' B' ' 53' ' ' VAL . 7.3 tt0 -61.02 -34.11 74.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.114 -0.991 . . . . 0.0 108.813 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -45.85 -30.05 1.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.36 -0.838 . . . . 0.0 108.863 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.52 -34.55 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.4 t -64.99 -44.71 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.78 . . . . 0.0 109.056 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.0 -41.01 91.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.14 -48.26 82.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.027 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.02 -40.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 109.675 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.476 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.2 mtp -68.37 -40.03 81.57 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.149 -0.969 . . . . 0.0 110.042 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -50.01 75.4 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.238 -0.914 . . . . 0.0 109.226 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.61 -39.98 76.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.47 -0.769 . . . . 0.0 109.531 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.0 tp -70.03 -40.35 75.23 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.503 -0.748 . . . . 0.0 109.005 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 56.1 t0 -74.59 70.39 1.8 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.321 -0.862 . . . . 0.0 110.968 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -70.24 -32.92 70.99 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 6.7 p-10 -59.97 -40.01 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.792 -0.567 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.49 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 89.02 89.24 1.2 Allowed Glycine 0 N--CA 1.486 2.022 0 N-CA-C 107.694 -2.162 . . . . 0.0 107.694 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.461 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 19.2 p-10 -160.85 -16.51 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.641 -0.917 . . . . 0.0 111.082 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 80.39 -0.08 85.6 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.461 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 98.7 mt-10 -140.23 166.38 24.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.643 -0.916 . . . . 0.0 108.859 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.5 m -103.94 103.08 12.88 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.921 -1.112 . . . . 0.0 108.837 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -70.44 177.24 3.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 110.63 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.62 -50.07 74.98 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.419 0.628 . . . . 0.0 110.07 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.95 -51.61 68.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.207 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ALA . 86.5 tt0 -59.93 -43.8 94.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.446 -1.409 . . . . 0.0 107.806 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.49 -39.92 17.16 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.11 -29.89 71.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 108.628 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.03 -55.43 22.34 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.78 -40.92 73.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.85 -45.38 98.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.523 ' HG ' ' H ' ' B' ' 79' ' ' MET . 79.3 p -68.68 -44.32 74.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.572 -0.705 . . . . 0.0 110.104 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.523 ' H ' ' HG ' ' B' ' 78' ' ' SER . 58.8 mmm -57.59 -40.12 78.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.586 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.02 -28.24 44.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -84.36 -44.67 13.54 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -73.54 -17.79 61.16 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.736 -0.603 . . . . 0.0 109.709 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -84.6 -47.26 10.72 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.226 -0.921 . . . . 0.0 109.98 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p -69.16 132.44 46.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.259 -0.9 . . . . 0.0 110.549 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -81.53 146.72 30.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.533 -0.73 . . . . 0.0 109.109 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -60.8 134.29 56.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.078 -1.014 . . . . 0.0 110.169 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -94.12 -1.88 53.6 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.422 -0.799 . . . . 0.0 109.117 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -86.73 21.92 2.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.19 -0.944 . . . . 0.0 109.903 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.17 136.36 58.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.115 -0.99 . . . . 0.0 109.103 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -155.55 160.2 40.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.136 -0.977 . . . . 0.0 109.857 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.587 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -59.93 -30.07 68.81 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.221 -0.924 . . . . 0.0 109.61 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.83 -34.03 73.09 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.093 -1.004 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.4 -45.15 94.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 110.001 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.186 -0.946 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.73 76.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 108.969 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mtp -62.04 -49.97 73.86 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.546 0.689 . . . . 0.0 109.143 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.09 -39.96 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.67 -0.644 . . . . 0.0 110.215 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.16 -39.98 73.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.063 -1.023 . . . . 0.0 109.482 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.52 -46.03 91.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.123 -0.986 . . . . 0.0 110.137 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.05 -51.36 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.936 -1.102 . . . . 0.0 109.68 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -59.9 -41.27 91.27 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 108.701 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.97 -43.52 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.377 -0.827 . . . . 0.0 109.982 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.47 -56.43 16.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.051 -1.031 . . . . 0.0 110.049 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -59.92 -43.59 94.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.939 -1.101 . . . . 0.0 111.398 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.02 -40.24 75.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.227 -1.546 . . . . 0.0 109.41 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.562 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.0 t80 -72.29 -40.39 67.6 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.578 0.704 . . . . 0.0 109.661 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 m -77.22 -19.93 55.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.326 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 19.81 36.11 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 120.964 -1.085 . . . . 0.0 110.434 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -82.67 -45.31 14.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.776 -1.426 . . . . 0.0 109.84 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -127.57 142.15 51.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.551 -0.718 . . . . 0.0 109.68 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.19 -123.83 28.69 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -134.93 157.91 45.65 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.444 -1.033 . . . . 0.0 109.583 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -68.08 168.57 11.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.405 -0.809 . . . . 0.0 109.065 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.0 t60 69.59 32.84 3.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 0.0 109.522 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -167.38 95.75 0.47 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.397 -0.815 . . . . 0.0 109.043 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 3.6 mm? -96.05 119.0 33.76 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.127 -0.983 . . . . 0.0 109.761 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -92.38 166.1 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.566 -0.709 . . . . 0.0 109.29 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.76 -39.86 82.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 109.721 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -64.09 -39.33 93.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.056 -1.028 . . . . 0.0 108.506 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.06 -34.37 73.12 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.803 -0.56 . . . . 0.0 109.742 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.04 -40.56 75.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.302 -0.874 . . . . 0.0 109.442 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.08 -40.06 88.25 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.842 0.83 . . . . 0.0 108.925 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.24 -46.09 90.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.746 -0.596 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.562 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.8 tt -59.98 -47.58 85.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.988 -1.07 . . . . 0.0 109.3 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -48.0 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.097 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -71.58 -20.07 62.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 111.056 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -57.47 -59.84 4.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.901 -1.124 . . . . 0.0 111.564 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' B' ' 1' ' ' SER . 6.1 pt-20 -142.4 -10.21 0.84 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.725 -1.234 . . . . 0.0 111.1 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.81 130.53 35.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.682 -1.261 . . . . 0.0 108.797 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -163.58 -34.8 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.393 -0.817 . . . . 0.0 109.119 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.97 -18.03 62.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.07 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -103.29 -16.99 15.5 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.149 -0.97 . . . . 0.0 109.723 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.6 mm? -104.06 150.9 23.86 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 109.298 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -84.92 -76.5 0.31 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.356 -0.84 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -164.55 106.25 0.86 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.419 HD11 HG22 ' A' ' 47' ' ' ILE . 96.8 mt -99.35 104.21 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.078 -1.014 . . . . 0.0 109.092 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -112.73 -22.73 10.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.608 -0.683 . . . . 0.0 109.895 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -112.01 137.52 49.91 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.454 -0.779 . . . . 0.0 109.993 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -61.88 -30.11 70.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.324 -0.86 . . . . 0.0 109.595 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.36 -31.82 62.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.868 . . . . 0.0 109.585 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.88 -34.99 62.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 108.809 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.29 -42.22 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.633 -0.667 . . . . 0.0 109.458 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.23 88.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 0.0 109.844 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.75 -43.66 97.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 109.067 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.76 -40.07 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.578 -0.701 . . . . 0.0 109.503 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -41.68 95.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.724 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.15 -41.15 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.038 -1.038 . . . . 0.0 109.367 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 m -69.43 -40.48 77.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 110.023 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.03 -42.1 63.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.378 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 28.1 t0 -66.52 97.57 0.44 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 110.563 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -47.61 85.51 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.579 -0.7 . . . . 0.0 109.943 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.1 p-10 -92.45 -3.67 54.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.207 -0.933 . . . . 0.0 111.393 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.18 70.13 Favored Glycine 0 N--CA 1.496 2.684 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.436 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.546 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 33.6 p-10 -71.08 -6.96 43.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.796 -1.414 . . . . 0.0 110.432 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.15 -5.58 79.41 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 120.862 -1.149 . . . . 0.0 110.877 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -137.01 161.32 36.38 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -1.171 . . . . 0.0 108.117 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.75 106.61 17.17 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.87 -1.144 . . . . 0.0 108.916 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.33 174.75 3.76 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.878 0.846 . . . . 0.0 110.864 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.92 -50.83 72.21 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.354 0.597 . . . . 0.0 109.545 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -60.03 -53.55 56.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.41 -0.806 . . . . 0.0 109.2 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -59.97 -48.1 83.1 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -44.83 -39.84 5.66 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mtp -71.13 -22.12 62.11 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.383 -0.823 . . . . 0.0 109.909 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.45 -59.14 5.39 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.66 -1.275 . . . . 0.0 108.677 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -51.51 -39.86 58.47 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.15 -45.79 95.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.477 ' HG ' ' N ' ' A' ' 79' ' ' MET . 60.7 p -66.47 -44.83 81.66 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.311 -0.868 . . . . 0.0 110.207 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.477 ' N ' ' HG ' ' A' ' 78' ' ' SER . 28.1 ttt -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.199 -0.938 . . . . 0.0 109.611 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.41 -33.37 62.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -70.11 -41.2 74.32 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -64.59 -56.03 16.58 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 85' ' ' HIS . . . -43.32 -37.82 2.4 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 0.0 109.654 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.7 t -78.64 40.31 0.37 Allowed 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.496 ' H ' ' C ' ' A' ' 83' ' ' ALA . 64.3 t60 -60.09 -39.99 88.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.774 -0.579 . . . . 0.0 110.138 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -49.78 132.91 22.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.15 -0.969 . . . . 0.0 109.469 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -73.98 130.85 40.67 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.416 -0.803 . . . . 0.0 109.619 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -59.91 134.45 57.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.359 -0.838 . . . . 0.0 109.405 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.23 -39.89 88.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.315 -0.866 . . . . 0.0 109.525 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 52.47 19.46 1.18 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.33 -0.856 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.618 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.493 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 8.5 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.01 -29.8 68.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.364 -0.835 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.96 -34.0 72.83 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.678 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.41 -45.16 94.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.031 -1.043 . . . . 0.0 110.011 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -59.87 -40.13 87.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.17 -0.956 . . . . 0.0 110.027 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.976 . . . . 0.0 108.869 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 73.8 mtp -62.24 -49.89 73.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.575 -0.703 . . . . 0.0 109.22 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -40.05 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.615 -0.678 . . . . 0.0 110.162 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.09 72.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.941 -1.099 . . . . 0.0 109.488 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.57 -46.04 91.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.069 -1.019 . . . . 0.0 110.187 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.01 -51.16 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.889 -1.132 . . . . 0.0 109.727 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -60.02 -41.36 92.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 108.657 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.09 -43.35 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -63.42 -56.6 14.88 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.987 -1.071 . . . . 0.0 110.096 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -59.84 -43.23 94.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.12 . . . . 0.0 111.406 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.02 -40.36 75.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.307 -1.496 . . . . 0.0 109.531 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.661 ' HH ' ' N ' ' B' ' 35' ' ' LEU . 65.1 t80 -72.68 -40.03 66.59 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.542 0.686 . . . . 0.0 109.721 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.1 m -77.45 -19.67 55.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.441 -0.787 . . . . 0.0 110.333 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.09 19.62 37.68 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -82.62 -45.36 14.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.764 -1.433 . . . . 0.0 109.78 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -127.58 141.95 51.5 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.526 -0.734 . . . . 0.0 109.741 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.41 -123.82 28.27 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -135.28 157.88 45.78 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.482 -1.011 . . . . 0.0 109.479 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -68.02 168.64 11.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.083 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.4 t60 69.72 32.86 3.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.555 -0.716 . . . . 0.0 109.316 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -167.41 95.87 0.47 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 109.183 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' B' ' 27' ' ' LEU . 3.6 mm? -96.35 119.0 34.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -92.36 166.02 12.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.612 -0.68 . . . . 0.0 109.259 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.52 -40.1 81.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.775 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 95.7 p -63.82 -39.58 94.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.056 . . . . 0.0 108.582 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.92 -34.4 73.43 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.218 0.533 . . . . 0.0 109.738 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.96 -40.76 75.21 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.281 -0.887 . . . . 0.0 109.534 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 108.932 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -60.06 -46.12 90.62 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.842 -0.536 . . . . 0.0 109.753 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.661 ' N ' ' HH ' ' B' ' 17' ' ' TYR . 8.5 tt -59.96 -47.6 85.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.089 -1.007 . . . . 0.0 109.414 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -47.92 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.3 -0.875 . . . . 0.0 110.01 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.81 -20.01 61.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -57.71 -59.61 4.95 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.901 -1.125 . . . . 0.0 111.478 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -142.52 -10.19 0.83 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.737 -1.227 . . . . 0.0 111.082 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.71 130.29 35.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.678 -1.264 . . . . 0.0 108.846 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.1 t -163.08 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.519 -0.738 . . . . 0.0 109.187 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.76 -18.08 62.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.51 -0.744 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.28 -17.06 15.48 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.096 -1.002 . . . . 0.0 109.695 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' B' ' 44' ' ' LEU . 3.4 mm? -104.2 150.66 24.18 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.505 -0.747 . . . . 0.0 109.384 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.39 -76.65 0.3 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.326 -0.858 . . . . 0.0 108.869 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -164.7 106.45 0.85 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 109.323 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 96.4 mt -99.49 104.59 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.144 -0.973 . . . . 0.0 109.137 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -113.1 -22.56 10.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.533 -0.729 . . . . 0.0 109.897 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -111.95 137.55 49.79 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.448 -0.782 . . . . 0.0 110.017 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -62.14 -29.99 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 109.602 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.31 -31.87 61.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.371 -0.831 . . . . 0.0 109.525 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.97 -35.04 62.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 108.774 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.4 -41.83 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 109.508 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.06 -40.11 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.81 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -60.67 -43.86 97.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.76 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.581 -0.699 . . . . 0.0 109.565 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.6 -41.61 95.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.147 -0.97 . . . . 0.0 110.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.032 -1.042 . . . . 0.0 109.334 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 74.1 m -69.48 -40.42 77.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.28 -0.887 . . . . 0.0 110.049 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.81 -42.88 63.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -0.88 . . . . 0.0 110.235 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 26.6 t0 -65.76 97.96 0.36 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.901 -1.124 . . . . 0.0 110.705 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.48 -48.18 82.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.577 -0.702 . . . . 0.0 109.91 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.9 p-10 -91.99 -3.96 55.18 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.222 -0.923 . . . . 0.0 111.397 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.72 29.11 69.85 Favored Glycine 0 N--CA 1.497 2.757 0 C-N-CA 119.511 -1.328 . . . . 0.0 110.459 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.2 p-10 -70.98 -7.01 43.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.938 -1.331 . . . . 0.0 110.503 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.08 -5.24 80.64 Favored Glycine 0 N--CA 1.497 2.736 0 O-C-N 120.88 -1.137 . . . . 0.0 110.805 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -137.11 161.01 37.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.258 -1.142 . . . . 0.0 108.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 67.8 m -103.57 106.78 17.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.947 -1.096 . . . . 0.0 108.843 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -68.6 175.05 3.7 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.875 0.845 . . . . 0.0 110.829 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.02 -50.65 72.91 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.351 0.596 . . . . 0.0 109.539 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -53.66 55.17 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.308 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.8 mt-10 -60.03 -48.15 82.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.963 -1.086 . . . . 0.0 108.382 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -44.94 -39.24 5.31 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.5 mtp -71.58 -22.06 61.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.16 -59.7 4.66 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.736 -1.228 . . . . 0.0 108.657 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -51.2 -39.92 57.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.12 -45.79 95.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -66.43 -44.81 81.85 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.98 -42.43 94.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.288 -0.882 . . . . 0.0 109.54 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.59 -33.16 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -69.98 -41.29 74.62 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 8.7 m -64.77 -55.84 17.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' B' ' 85' ' ' HIS . . . -43.29 -37.91 2.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.639 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 t -78.3 40.05 0.34 Allowed 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.487 ' H ' ' C ' ' B' ' 83' ' ' ALA . 68.2 t60 -59.99 -39.91 87.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.763 -0.586 . . . . 0.0 110.146 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -49.92 133.05 22.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.119 -0.988 . . . . 0.0 109.552 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -74.02 130.78 40.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.387 -0.82 . . . . 0.0 109.589 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -59.89 134.36 56.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.289 -0.882 . . . . 0.0 109.366 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.19 -39.93 88.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.408 -0.808 . . . . 0.0 109.54 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 52.48 19.93 1.32 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.323 -0.861 . . . . 0.0 109.208 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.663 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -66.75 -30.5 70.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 110.041 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.09 -37.23 75.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.117 -0.989 . . . . 0.0 110.053 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.1 -41.35 97.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 109.89 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.1 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.813 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.96 71.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 0.0 109.488 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -59.93 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.326 -0.859 . . . . 0.0 109.429 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.03 -40.02 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 109.282 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.132 -0.98 . . . . 0.0 109.849 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.15 -44.19 95.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.137 -0.977 . . . . 0.0 111.16 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 11' ' ' ILE . 96.7 mt -60.09 -49.55 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.806 -1.183 . . . . 0.0 109.204 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.02 -39.9 87.46 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.91 -44.77 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.816 . . . . 0.0 110.141 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -60.33 -55.04 38.43 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.897 -1.127 . . . . 0.0 110.649 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.29 -39.99 84.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 111.178 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.78 -40.15 79.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.282 -1.511 . . . . 0.0 110.046 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -73.9 -44.0 56.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.248 -0.908 . . . . 0.0 110.383 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -69.67 -18.82 63.59 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.906 -1.122 . . . . 0.0 109.67 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.07 22.53 14.39 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -86.44 -60.36 2.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.228 -1.16 . . . . 0.0 109.366 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -139.64 160.89 38.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.398 -0.814 . . . . 0.0 109.738 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.77 170.89 38.82 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 7.1 t70 -49.94 -95.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.268 -1.136 . . . . 0.0 109.448 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 33.1 ttmt -165.95 123.97 1.5 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 109.767 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.1 t-80 79.32 1.12 2.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.783 -0.573 . . . . 0.0 110.139 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -108.19 125.43 51.62 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -95.62 119.2 33.71 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.887 -1.133 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -94.42 165.1 12.73 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.92 77.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.912 -1.117 . . . . 0.0 110.029 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.7 p -60.07 -39.9 87.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.987 -1.071 . . . . 0.0 108.958 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.28 -39.91 78.09 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.15 -43.93 98.12 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.24 -40.57 94.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.511 -0.743 . . . . 0.0 109.679 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.58 -44.68 81.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.135 -0.978 . . . . 0.0 110.212 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.91 -49.04 79.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 0.0 109.965 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 89.8 mt -60.38 -43.54 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.935 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.064 -1.023 . . . . 0.0 111.312 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.32 -13.54 52.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.969 -1.082 . . . . 0.0 112.637 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -128.09 -89.96 0.52 Allowed 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.92 -1.113 . . . . 0.0 112.253 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 85.9 mt -75.16 129.29 37.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.077 -1.015 . . . . 0.0 111.059 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -150.04 -40.3 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -75.85 -18.6 59.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.25 -11.93 20.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.253 -0.905 . . . . 0.0 109.965 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.8 mm? -107.44 -108.94 0.31 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -176.9 143.58 0.43 Allowed 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -65.36 127.51 32.05 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.778 -1.201 . . . . 0.0 108.018 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 47' ' ' ILE . 85.7 mt -108.47 129.99 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.277 -0.889 . . . . 0.0 109.939 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -106.87 -26.2 11.34 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.633 -0.667 . . . . 0.0 109.521 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -110.59 132.96 53.74 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.444 -0.785 . . . . 0.0 110.397 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.3 tt0 -64.65 -38.89 92.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.791 . . . . 0.0 109.356 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -45.39 -33.18 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.426 -0.797 . . . . 0.0 109.693 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.69 -32.41 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 108.747 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' GLN . 66.7 t -69.95 -42.72 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.623 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.03 -40.21 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.245 -0.909 . . . . 0.0 110.743 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -60.35 -45.3 93.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.031 -1.043 . . . . 0.0 108.624 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.65 -39.89 82.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-O 121.221 0.534 . . . . 0.0 110.145 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mtp -67.48 -39.89 85.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.234 -0.916 . . . . 0.0 110.76 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.53 -43.69 84.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.033 -1.042 . . . . 0.0 108.974 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.0 -39.99 75.54 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.03 75.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.707 -0.62 . . . . 0.0 109.789 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.26 105.73 1.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.198 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 74.4 mm-40 -61.34 -39.96 92.49 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.443 -0.786 . . . . 0.0 109.465 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.83 -9.3 31.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.188 -0.945 . . . . 0.0 111.1 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 29.44 73.24 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.412 -1.375 . . . . 0.0 109.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -70.24 -3.94 19.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.06 -1.259 . . . . 0.0 109.546 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.37 52.37 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.4 mp0 -130.24 164.88 23.58 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.056 -1.261 . . . . 0.0 108.686 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.7 t -100.22 109.0 21.23 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.265 -0.897 . . . . 0.0 109.657 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.5 t0 -70.97 175.41 5.16 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.809 0.814 . . . . 0.0 110.583 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.472 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 44.2 t80 -62.97 -50.22 71.65 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.29 0.567 . . . . 0.0 110.678 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -60.13 -53.84 52.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.8 mt-10 -59.96 -44.17 94.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.809 -1.182 . . . . 0.0 107.84 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -49.19 -39.95 31.39 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.68 -30.05 71.2 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -65.49 -51.53 59.39 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.58 -39.97 62.12 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -42.64 90.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 81' ' ' THR . 42.1 p -70.58 -46.31 63.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.442 -0.786 . . . . 0.0 110.157 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.4 ttt -51.81 -40.06 59.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.097 -1.002 . . . . 0.0 108.994 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.47 -27.63 39.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' SER . 24.2 m -79.96 -49.16 12.26 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.1 p -70.1 -14.32 62.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.533 -0.729 . . . . 0.0 109.368 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -45.42 63.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.335 -0.853 . . . . 0.0 109.341 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 87.3 m -79.21 151.53 31.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.0 109.125 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -69.93 150.07 47.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.371 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' OE1' ' CD2' ' B' ' 25' ' ' HIS . 86.3 tt0 -59.98 -40.2 88.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.221 -0.925 . . . . 0.0 109.452 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -87.0 130.64 34.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.346 -0.846 . . . . 0.0 109.412 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 63.4 t80 -140.02 -15.9 0.99 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.207 -0.933 . . . . 0.0 109.398 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -100.04 121.54 41.54 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.285 -0.884 . . . . 0.0 109.705 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -66.98 -40.07 87.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.955 . . . . 0.0 109.179 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.44 179.758 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.272 0.558 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.5 -30.12 69.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.112 -0.992 . . . . 0.0 110.025 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.3 tp -70.15 -37.31 75.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.989 . . . . 0.0 110.03 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.0 -41.6 97.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.96 -40.05 87.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.928 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -50.8 72.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.0 109.407 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.07 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.425 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.03 -39.93 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.589 -0.694 . . . . 0.0 109.407 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.02 91.0 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.22 -0.925 . . . . 0.0 109.796 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.04 -44.29 94.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.139 -0.976 . . . . 0.0 111.188 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.409 HD12 HG23 ' B' ' 11' ' ' ILE . 96.6 mt -59.99 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.781 -1.199 . . . . 0.0 109.244 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.78 -39.98 86.71 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.99 -44.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.11 -55.24 36.3 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.863 -1.148 . . . . 0.0 110.659 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.21 -40.08 84.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 111.376 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.7 -39.91 80.28 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.277 -1.514 . . . . 0.0 110.172 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.22 -43.93 55.16 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.255 -0.903 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.9 t -69.63 -18.76 63.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.887 -1.133 . . . . 0.0 109.735 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.19 22.34 15.85 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.29 -60.15 2.08 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -1.208 . . . . 0.0 109.419 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.79 160.78 39.12 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.392 -0.818 . . . . 0.0 109.69 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 93.98 170.76 38.46 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 7.0 t70 -50.0 -95.06 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.183 -1.187 . . . . 0.0 109.408 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.503 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 33.1 ttmt -165.99 123.99 1.49 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.1 t-80 79.31 1.22 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.699 -0.625 . . . . 0.0 110.15 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -108.25 125.11 51.3 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.28 119.06 33.14 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.824 -1.172 . . . . 0.0 110.489 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -94.31 165.2 12.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.749 -0.594 . . . . 0.0 109.402 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.99 77.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.983 -1.073 . . . . 0.0 110.018 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -60.08 -39.69 86.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.074 -1.016 . . . . 0.0 109.06 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.59 -39.88 77.03 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.92 -44.08 97.71 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.21 -40.42 93.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.424 -0.797 . . . . 0.0 109.761 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.63 -44.66 81.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -0.96 . . . . 0.0 110.289 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.99 -49.09 79.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.323 -0.861 . . . . 0.0 109.821 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 89.3 mt -60.05 -43.84 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.141 -0.974 . . . . 0.0 110.09 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.23 -39.99 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.117 -0.989 . . . . 0.0 111.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.14 -13.65 52.33 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.874 -1.141 . . . . 0.0 112.57 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -128.0 -89.99 0.52 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.855 -1.153 . . . . 0.0 112.332 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 85.6 mt -75.24 129.01 36.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.079 -1.013 . . . . 0.0 111.044 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -149.96 -40.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -75.95 -18.45 59.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.487 -0.758 . . . . 0.0 109.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.29 -12.07 20.69 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.291 -0.881 . . . . 0.0 109.969 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' B' ' 44' ' ' LEU . 3.8 mm? -107.33 -108.8 0.31 Allowed 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -177.03 143.4 0.4 Allowed 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.21 127.57 32.25 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.839 -1.163 . . . . 0.0 108.106 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.48 130.03 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.341 -0.849 . . . . 0.0 109.905 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -107.03 -26.1 11.3 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.582 -0.699 . . . . 0.0 109.401 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.79 132.71 53.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.512 -0.743 . . . . 0.0 110.495 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.2 tt0 -64.27 -39.27 93.6 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.692 0.758 . . . . 0.0 109.282 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -45.21 -33.12 2.16 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.656 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -69.81 -32.22 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 69.2 t -70.0 -42.67 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.57 -0.706 . . . . 0.0 109.589 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.1 -40.14 92.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.265 -0.897 . . . . 0.0 110.855 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.38 -45.41 93.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.157 -0.965 . . . . 0.0 108.643 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.49 -39.96 82.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.225 0.536 . . . . 0.0 110.037 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 94.9 mtp -67.52 -40.01 85.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.154 -0.966 . . . . 0.0 110.698 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.37 -43.74 85.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.954 -1.091 . . . . 0.0 109.088 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.22 -39.9 74.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.08 75.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.6 -0.688 . . . . 0.0 109.674 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.1 105.67 1.75 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.121 -0.987 . . . . 0.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' B' ' 72' ' ' GLU . 74.4 mm-40 -61.17 -40.02 92.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.423 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.72 -9.51 31.67 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.23 -0.919 . . . . 0.0 111.13 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.32 73.11 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -4.18 19.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.072 -1.252 . . . . 0.0 109.344 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.63 -17.8 50.34 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.482 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 55.2 mp0 -129.79 164.54 23.83 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.023 -1.28 . . . . 0.0 108.639 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 t -99.84 109.11 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.1 t0 -71.01 175.48 5.13 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.835 0.826 . . . . 0.0 110.65 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 43.6 t80 -62.95 -50.16 71.91 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.231 0.539 . . . . 0.0 110.627 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -54.06 50.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.079 -1.013 . . . . 0.0 109.551 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.8 mt-10 -59.99 -44.32 94.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.756 -1.215 . . . . 0.0 107.77 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -49.01 -40.03 29.25 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.57 -30.15 71.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.37 -51.51 59.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.68 -40.03 62.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -42.84 90.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 81' ' ' THR . 41.9 p -70.57 -46.25 63.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.137 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.3 ttt -51.84 -40.0 59.79 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.13 -0.981 . . . . 0.0 108.999 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -27.63 39.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' B' ' 78' ' ' SER . 23.8 m -79.9 -49.43 11.92 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.4 p -70.0 -14.18 62.58 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.566 -0.709 . . . . 0.0 109.393 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.33 -45.7 62.37 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 109.343 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 86.0 m -78.74 151.57 32.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.162 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -70.13 150.14 46.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.037 -1.039 . . . . 0.0 109.281 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -40.11 88.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.238 -0.913 . . . . 0.0 109.451 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -87.15 130.54 34.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.85 . . . . 0.0 109.439 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 63.2 t80 -139.96 -15.75 1.0 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.284 -0.885 . . . . 0.0 109.408 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -100.0 121.44 41.36 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.345 -0.847 . . . . 0.0 109.773 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -66.82 -40.02 87.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.241 -0.912 . . . . 0.0 109.176 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.491 179.805 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.399 0.618 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 56.2 mp0 -59.93 -33.21 71.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.522 -0.736 . . . . 0.0 109.829 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.38 -34.24 75.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.94 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.3 -41.04 96.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.033 -1.042 . . . . 0.0 109.249 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.07 -39.57 86.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 0.0 109.926 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.14 94.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.105 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.4 -48.17 68.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.174 -0.954 . . . . 0.0 109.064 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -40.51 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.597 -0.689 . . . . 0.0 110.642 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.854 -1.154 . . . . 0.0 110.159 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.98 -41.14 91.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.684 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.0 -50.26 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.684 -1.26 . . . . 0.0 109.353 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.56 -39.98 89.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 0.0 109.459 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.67 -49.24 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.445 -0.785 . . . . 0.0 109.571 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.0 -53.25 60.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.246 -0.909 . . . . 0.0 109.393 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -59.99 -40.58 89.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 112.117 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -70.8 -40.2 72.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.002 -1.686 . . . . 0.0 110.471 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -77.51 -48.42 17.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.377 -0.827 . . . . 0.0 110.583 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.6 t -78.33 -19.9 52.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.949 -1.094 . . . . 0.0 110.146 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.36 11.01 72.56 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -83.03 -40.63 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.241 . . . . 0.0 108.658 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -148.12 150.98 34.83 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.14 -169.26 49.65 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.053 -1.07 . . . . 0.0 110.529 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -95.36 141.17 29.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.475 -1.015 . . . . 0.0 110.033 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 30.3 ttmt -62.15 138.75 58.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.538 -0.726 . . . . 0.0 109.94 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 1.6 t-160 79.2 27.66 0.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.608 0.718 . . . . 0.0 109.318 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -153.4 100.6 2.45 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.1 mp -99.82 124.39 45.06 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.346 -0.846 . . . . 0.0 109.928 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -93.03 165.82 12.66 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -58.4 -39.98 81.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.033 -1.042 . . . . 0.0 109.417 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -62.76 -40.42 97.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.891 -1.131 . . . . 0.0 108.799 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.09 -32.9 71.19 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.502 0.668 . . . . 0.0 109.311 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -69.03 -40.09 78.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.482 -0.761 . . . . 0.0 109.307 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.2 -40.03 90.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.427 -0.796 . . . . 0.0 110.73 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.01 -43.67 95.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.008 -1.057 . . . . 0.0 109.95 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.94 -47.75 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.317 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' GLU . 96.7 mt -61.62 -42.36 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.19 -40.41 95.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.872 -1.143 . . . . 0.0 108.855 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.52 -49.9 10.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 36' ' ' ILE . 99.0 mt-10 -112.16 170.24 8.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.665 0.745 . . . . 0.0 110.567 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt 54.71 24.87 5.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.795 -0.566 . . . . 0.0 110.739 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 109.257 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -70.04 -19.63 63.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 110.622 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -98.68 -17.44 18.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.092 -1.005 . . . . 0.0 109.972 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.47 109.77 4.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -122.79 -23.71 5.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.477 -0.764 . . . . 0.0 109.981 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -71.05 -113.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.102 . . . . 0.0 109.798 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mt 47.91 69.63 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.003 -1.061 . . . . 0.0 109.118 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -90.08 -19.87 23.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -119.13 138.84 52.64 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.208 -0.933 . . . . 0.0 110.246 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -62.53 -38.72 91.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.168 -0.958 . . . . 0.0 108.634 178.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -47.91 -33.62 7.87 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.01 -34.35 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 108.766 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLN . 67.1 t -67.19 -47.32 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.423 -0.798 . . . . 0.0 109.467 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.85 -41.43 95.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.23 -0.918 . . . . 0.0 109.839 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.04 -47.51 86.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.293 -0.879 . . . . 0.0 108.926 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.561 -0.712 . . . . 0.0 109.505 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.4 ttm -60.0 -44.13 94.75 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.176 -0.952 . . . . 0.0 109.963 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -42.38 94.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.122 -0.986 . . . . 0.0 109.521 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -65.08 -39.95 93.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.327 -0.858 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.7 -40.05 76.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.58 -0.7 . . . . 0.0 110.283 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.9 114.58 4.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.111 -0.993 . . . . 0.0 110.705 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -59.95 -43.17 95.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.741 -0.599 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.5 p-10 -94.95 -4.98 45.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.052 -1.03 . . . . 0.0 110.646 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.42 33.23 68.03 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 119.764 -1.208 . . . . 0.0 110.279 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -77.36 2.05 17.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.126 -1.22 . . . . 0.0 109.797 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.37 11.4 71.61 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.52 160.06 40.84 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.01 104.84 13.79 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.827 -1.171 . . . . 0.0 109.862 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.49 174.47 4.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.897 0.856 . . . . 0.0 110.723 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.02 -49.9 75.85 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.527 0.679 . . . . 0.0 109.212 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.08 -54.51 45.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.431 -0.793 . . . . 0.0 109.674 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -59.94 -46.13 90.39 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -47.84 -37.99 15.07 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 tpt -66.97 -30.13 70.17 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.56 -53.52 50.46 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.8 -40.15 69.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.29 -45.98 95.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.407 ' HG ' ' H ' ' A' ' 79' ' ' MET . 79.6 p -64.8 -42.49 94.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.364 -0.835 . . . . 0.0 109.929 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.407 ' H ' ' HG ' ' A' ' 78' ' ' SER . 35.4 tpp -55.28 -39.95 70.44 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.215 -0.928 . . . . 0.0 108.713 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.0 -33.33 54.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.21 -0.931 . . . . 0.0 108.558 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.67 -45.89 90.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 0.0 109.299 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.1 p -67.77 -52.23 39.68 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.118 -0.988 . . . . 0.0 108.779 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.63 -40.13 18.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.236 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.09 137.83 57.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.317 -0.864 . . . . 0.0 108.924 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -60.2 133.59 56.24 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 109.621 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.24 -40.07 92.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.374 -0.829 . . . . 0.0 109.795 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -82.63 144.62 30.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.18 -0.95 . . . . 0.0 109.212 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 61.8 t80 -83.85 -15.64 47.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 108.819 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' PHE . 25.5 tp10 40.04 -130.01 0.34 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.831 -0.543 . . . . 0.0 110.251 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.485 ' HD1' ' C ' ' A' ' 90' ' ' HIS . 1.9 p80 -148.85 164.56 34.1 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.164 -0.96 . . . . 0.0 109.672 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.286 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 55.3 mp0 -60.03 -33.06 71.51 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.558 -0.714 . . . . 0.0 109.835 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.56 -34.14 75.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 110.014 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -61.29 -41.13 96.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.05 . . . . 0.0 109.227 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -59.99 -39.44 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.95 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.33 94.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.145 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.2 -48.42 67.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.281 -0.887 . . . . 0.0 109.052 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.57 -40.57 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.534 -0.729 . . . . 0.0 110.699 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.76 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.749 -1.219 . . . . 0.0 110.344 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.06 -41.24 91.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.162 -0.961 . . . . 0.0 110.693 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.97 -50.17 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.705 -1.247 . . . . 0.0 109.358 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.54 -40.13 90.41 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.361 -0.837 . . . . 0.0 109.395 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.62 -49.25 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.422 -0.799 . . . . 0.0 109.479 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.01 -53.29 59.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.276 -0.89 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.98 -40.36 88.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.139 -0.975 . . . . 0.0 112.152 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.01 -40.27 71.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 119.997 -1.69 . . . . 0.0 110.367 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -77.29 -48.49 17.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.813 . . . . 0.0 110.676 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -78.71 -19.57 52.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.911 -1.118 . . . . 0.0 109.99 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.4 10.97 72.75 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -82.95 -40.64 19.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 108.681 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -148.11 151.2 35.22 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -169.41 49.28 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.444 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.68 141.11 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.503 -0.998 . . . . 0.0 109.924 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 31.3 ttmt -62.03 138.68 58.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.483 -0.761 . . . . 0.0 109.869 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 1.6 t-160 79.33 27.53 0.38 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.606 0.717 . . . . 0.0 109.183 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -153.06 100.63 2.5 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mp -99.78 124.26 44.88 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.301 -0.874 . . . . 0.0 110.02 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -92.86 165.51 12.87 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -58.25 -40.03 80.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.084 -1.01 . . . . 0.0 109.347 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 t -62.82 -40.29 96.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.881 -1.137 . . . . 0.0 108.932 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.18 -32.48 70.44 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.468 0.652 . . . . 0.0 109.332 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.33 -40.17 77.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.451 -0.781 . . . . 0.0 109.241 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.22 -39.91 89.92 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.323 -0.861 . . . . 0.0 110.652 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.01 -43.85 94.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.963 -1.086 . . . . 0.0 109.788 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.97 -47.61 85.11 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.188 -0.945 . . . . 0.0 109.18 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.9 mt -61.82 -42.25 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.167 -0.958 . . . . 0.0 109.934 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.42 -40.31 96.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.737 -1.227 . . . . 0.0 108.757 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -80.3 -49.91 10.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.752 -0.592 . . . . 0.0 110.625 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' B' ' 36' ' ' ILE . 99.2 mt-10 -112.28 170.0 8.47 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.591 0.71 . . . . 0.0 110.513 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.4 mt 55.05 24.78 6.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.841 -0.537 . . . . 0.0 110.697 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.8 m -59.96 -39.98 87.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.063 -1.023 . . . . 0.0 109.208 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.01 -19.79 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.483 -0.761 . . . . 0.0 110.744 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.5 -18.08 18.38 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.111 -0.993 . . . . 0.0 109.991 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.77 109.86 4.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.153 -0.967 . . . . 0.0 108.745 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -122.67 -24.09 4.97 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.472 -0.768 . . . . 0.0 110.025 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -70.94 -113.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 109.828 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mt 48.02 69.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.119 -0.988 . . . . 0.0 109.061 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.1 -19.85 23.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.219 -0.925 . . . . 0.0 109.881 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -119.05 139.16 52.2 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.289 -0.882 . . . . 0.0 110.227 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.53 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 0.9 OUTLIER -62.92 -38.57 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.1 -1.0 . . . . 0.0 108.542 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -48.2 -33.33 8.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.07 -34.81 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 50' ' ' GLN . 68.4 t -66.76 -47.2 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -0.806 . . . . 0.0 109.671 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.29 -41.11 96.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.154 -0.967 . . . . 0.0 109.827 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -61.29 -47.28 86.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.192 -0.942 . . . . 0.0 108.994 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.61 -40.13 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.401 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttm -60.0 -44.08 94.77 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.117 -0.989 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -42.55 94.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 109.434 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -64.9 -40.01 94.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 109.904 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.8 -40.05 76.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.277 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.85 114.73 4.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -60.04 -43.1 95.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.852 -0.53 . . . . 0.0 109.928 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -95.03 -4.94 45.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.051 -1.031 . . . . 0.0 110.595 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 33.54 69.4 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.267 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -77.41 1.95 17.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.124 -1.221 . . . . 0.0 109.767 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.74 11.23 73.08 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.81 160.08 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.1 t -109.7 104.88 13.94 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.889 -1.132 . . . . 0.0 109.898 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.6 174.84 4.6 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.877 0.846 . . . . 0.0 110.691 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.612 0.72 . . . . 0.0 109.244 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.97 -54.53 45.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 0.0 109.603 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -60.02 -46.37 89.73 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -47.66 -38.15 14.33 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.93 -30.0 70.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.15 -53.12 54.51 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -54.79 -40.23 69.25 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -46.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 77.9 p -64.56 -42.39 95.7 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.909 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.9 tpp -55.52 -40.02 71.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.108 -0.995 . . . . 0.0 108.684 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.78 -33.23 55.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.83 -46.0 89.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.825 . . . . 0.0 109.022 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.524 ' HG1' ' H ' ' B' ' 83' ' ' ALA . 27.3 p -67.63 -52.33 39.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.104 -0.998 . . . . 0.0 108.758 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.524 ' H ' ' HG1' ' B' ' 82' ' ' THR . . . -47.52 -40.11 17.88 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.258 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t -59.6 137.75 57.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.272 -0.892 . . . . 0.0 108.935 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -60.16 133.59 56.24 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.19 -0.944 . . . . 0.0 109.638 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.06 -40.12 92.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.185 -0.947 . . . . 0.0 109.826 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.76 144.1 30.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.165 -0.96 . . . . 0.0 109.29 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 64.4 t80 -83.24 -15.63 49.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.171 -0.956 . . . . 0.0 108.996 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 40.01 -129.99 0.34 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.771 -0.58 . . . . 0.0 110.321 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.494 ' HD1' ' C ' ' B' ' 90' ' ' HIS . 1.7 p80 -148.94 164.77 33.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.124 -0.985 . . . . 0.0 109.471 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.28 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.66 -34.97 73.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -34.02 75.04 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.975 -1.078 . . . . 0.0 108.83 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.62 -43.16 97.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.2 -0.937 . . . . 0.0 109.556 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.99 -40.15 88.19 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 110.042 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.24 78.39 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.595 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.25 -50.01 75.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.239 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.99 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.504 -0.748 . . . . 0.0 110.253 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.29 91.66 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.769 -1.207 . . . . 0.0 109.642 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.01 -46.41 89.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 110.159 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -53.56 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.941 -1.1 . . . . 0.0 109.762 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.524 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.34 -41.49 93.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.002 . . . . 0.0 109.473 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.95 -43.87 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.283 -0.885 . . . . 0.0 109.941 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.74 -53.68 52.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.987 -1.071 . . . . 0.0 110.304 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 19' ' ' GLY . 86.2 t60 -59.79 -47.69 84.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.91 -1.119 . . . . 0.0 111.634 -177.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -61.02 -40.34 93.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 119.988 -1.695 . . . . 0.0 109.791 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -71.8 -47.03 56.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.082 -1.011 . . . . 0.0 109.235 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -73.53 -19.39 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.077 -1.015 . . . . 0.0 109.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -84.46 17.8 27.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -85.53 -52.39 5.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.969 -1.312 . . . . 0.0 108.746 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.04 159.97 21.07 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.88 -35.49 12.67 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 2.3 p30 -60.28 136.54 58.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.913 -1.346 . . . . 0.0 109.402 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.36 -70.14 0.56 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.088 -1.008 . . . . 0.0 110.441 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -107.68 8.13 28.84 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.287 -0.883 . . . . 0.0 111.329 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -107.49 129.11 54.99 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.015 -1.053 . . . . 0.0 109.539 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -99.79 130.04 45.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.277 -0.889 . . . . 0.0 109.385 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -92.8 164.8 13.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.638 -0.664 . . . . 0.0 109.628 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -50.32 -51.76 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.959 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.6 m -61.41 -39.96 92.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.091 -1.005 . . . . 0.0 109.402 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -69.5 -40.0 77.27 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.14 -48.23 82.56 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.645 -0.66 . . . . 0.0 109.885 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -59.94 -40.06 87.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.404 -0.81 . . . . 0.0 110.086 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.94 -40.98 90.78 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.869 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -44.59 84.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.266 -0.896 . . . . 0.0 109.574 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 39' ' ' GLU . 92.3 mt -70.03 -40.01 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.871 -1.143 . . . . 0.0 109.79 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' OG ' ' A' ' 41' ' ' SER . 98.5 m-20 -62.96 -41.0 99.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.768 -1.207 . . . . 0.0 109.836 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.96 -50.06 10.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.43 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' ILE . 82.2 tt0 -111.65 160.0 17.66 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.549 -0.719 . . . . 0.0 109.855 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 tp 69.93 -12.45 0.48 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.337 -0.852 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 39' ' ' GLU . 53.9 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.977 -1.077 . . . . 0.0 109.471 179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -69.35 -9.95 55.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.508 -0.745 . . . . 0.0 110.915 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -101.16 -19.94 15.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.813 -1.179 . . . . 0.0 109.831 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 pp -163.36 152.41 14.5 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.974 -1.079 . . . . 0.0 110.167 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 54.5 mp0 -133.05 35.64 3.51 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -79.98 -9.72 59.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 110.492 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -78.11 129.23 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.847 -1.158 . . . . 0.0 109.472 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -154.87 -44.01 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 109.662 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -113.15 142.79 45.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.96 -38.98 84.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.315 -0.866 . . . . 0.0 109.567 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.05 -33.26 67.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.576 -0.703 . . . . 0.0 109.78 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -70.07 -36.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.1 -41.36 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.568 -0.707 . . . . 0.0 109.142 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.39 -40.1 93.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.139 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.1 -50.07 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -0.98 . . . . 0.0 108.915 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.29 -40.97 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.526 -0.734 . . . . 0.0 109.408 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.7 ttt -67.39 -40.08 85.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.347 -0.845 . . . . 0.0 110.531 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -47.27 86.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.968 -1.083 . . . . 0.0 108.377 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -63.05 -40.02 96.46 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.2 -48.39 81.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.568 -0.708 . . . . 0.0 109.966 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.95 100.85 0.44 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.34 -0.85 . . . . 0.0 110.587 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -40.72 90.4 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.657 -0.652 . . . . 0.0 109.277 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -88.35 -11.89 44.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.143 -0.973 . . . . 0.0 109.938 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.03 31.38 69.55 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -72.4 -4.47 30.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 111.037 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 -6.62 71.59 Favored Glycine 0 N--CA 1.497 2.705 0 O-C-N 120.675 -1.266 . . . . 0.0 110.519 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -136.68 162.83 32.08 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.261 -1.141 . . . . 0.0 108.278 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -104.07 107.39 18.26 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.87 -1.144 . . . . 0.0 109.991 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.54 176.52 5.36 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.049 0.928 . . . . 0.0 111.397 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -60.05 -49.91 75.78 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.004 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.36 -55.08 39.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.342 -0.848 . . . . 0.0 109.263 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -60.02 -44.25 94.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.859 -1.151 . . . . 0.0 108.37 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -48.76 -40.0 27.13 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.5 tpt -69.48 -30.35 68.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.6 -57.32 11.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.036 -1.04 . . . . 0.0 108.402 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -49.96 -39.68 41.46 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.95 -41.25 91.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 91.9 p -71.63 -49.07 43.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.236 -0.915 . . . . 0.0 109.74 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.412 ' N ' ' HG ' ' A' ' 78' ' ' SER . 98.2 mtp -52.13 -40.95 62.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.557 -178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.69 -28.52 27.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 121.077 -1.015 . . . . 0.0 108.564 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 m -69.87 -43.16 72.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -70.03 -59.01 3.17 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.4 -40.85 8.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.707 -0.621 . . . . 0.0 109.787 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.0 123.01 15.76 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.27 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -81.59 145.34 30.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.38 -0.825 . . . . 0.0 109.636 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' PHE . 99.8 mt-10 -52.51 -92.68 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.209 -0.932 . . . . 0.0 108.976 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' GLU . 42.6 m-85 41.09 43.08 1.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.487 -0.758 . . . . 0.0 110.522 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.99 -44.45 94.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.075 -1.016 . . . . 0.0 109.282 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.83 98.97 7.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.471 -0.768 . . . . 0.0 110.052 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.95 164.23 33.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.514 -0.741 . . . . 0.0 109.291 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.917 -1.039 . . . . 0.0 109.512 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' B' ' 4' ' ' GLU . 10.0 p . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.78 -34.54 73.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.108 -0.995 . . . . 0.0 109.548 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -33.97 74.46 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.958 -1.089 . . . . 0.0 108.835 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.453 ' H ' ' HG ' ' B' ' 1' ' ' SER . 86.2 tt0 -60.67 -42.99 98.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.246 -0.908 . . . . 0.0 109.458 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.06 -40.15 88.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.972 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.51 77.35 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.081 -1.012 . . . . 0.0 108.663 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.14 -50.07 75.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.885 . . . . 0.0 109.189 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.48 -0.763 . . . . 0.0 110.191 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.43 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.81 -1.181 . . . . 0.0 109.529 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.96 -46.68 88.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.988 . . . . 0.0 110.077 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.99 -53.69 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.89 -1.131 . . . . 0.0 109.691 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 95.9 m-20 -60.13 -41.66 93.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.128 -0.982 . . . . 0.0 109.522 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 60.7 t -70.0 -43.44 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -62.02 -53.68 52.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.982 -1.074 . . . . 0.0 110.328 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' B' ' 19' ' ' GLY . 86.2 t60 -59.82 -47.6 85.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.866 -1.146 . . . . 0.0 111.526 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.0 OUTLIER -61.24 -40.03 92.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.138 -1.601 . . . . 0.0 109.837 -179.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -71.98 -46.93 55.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.131 -0.98 . . . . 0.0 109.142 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.7 p -73.71 -19.42 60.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.069 -1.02 . . . . 0.0 109.851 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -84.4 17.72 27.7 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -85.43 -52.29 5.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.008 -1.289 . . . . 0.0 108.782 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.05 159.97 21.06 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.95 -35.41 12.93 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' B' ' 23' ' ' ASP . 2.3 p30 -60.43 136.53 58.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.849 -1.383 . . . . 0.0 109.401 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -81.27 -70.06 0.56 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 110.439 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -107.97 8.31 28.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.324 -0.86 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -107.59 129.08 55.02 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.045 -1.034 . . . . 0.0 109.583 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -99.88 129.92 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.319 -0.863 . . . . 0.0 109.313 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -92.93 164.68 13.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.533 -0.729 . . . . 0.0 109.757 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -50.25 -51.71 42.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.374 -0.828 . . . . 0.0 109.971 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.001 -1.062 . . . . 0.0 109.408 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -69.4 -40.0 77.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.65 -47.85 83.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.708 -0.62 . . . . 0.0 109.834 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.322 -0.861 . . . . 0.0 110.045 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.03 -41.04 91.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 108.835 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -44.68 84.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.617 -178.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' B' ' 39' ' ' GLU . 90.8 mt -70.02 -40.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.89 -1.131 . . . . 0.0 109.862 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.415 ' O ' ' OG ' ' B' ' 41' ' ' SER . 98.6 m-20 -63.08 -40.95 99.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.778 -1.201 . . . . 0.0 109.778 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.93 -50.0 11.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.356 -0.84 . . . . 0.0 109.622 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.473 ' O ' ' O ' ' B' ' 36' ' ' ILE . 80.9 tt0 -111.77 159.94 17.79 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.494 -0.754 . . . . 0.0 109.71 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp 70.0 -12.52 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.424 -0.797 . . . . 0.0 110.562 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.452 ' H ' ' C ' ' B' ' 39' ' ' GLU . 54.3 m -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.951 -1.093 . . . . 0.0 109.426 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -69.22 -9.88 55.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.49 -0.756 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -101.19 -20.0 15.48 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.946 -1.096 . . . . 0.0 109.767 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 pp -163.44 152.55 14.48 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.804 -1.185 . . . . 0.0 110.223 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 54.4 mp0 -133.17 35.72 3.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -79.98 -9.71 59.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.513 -0.742 . . . . 0.0 110.52 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.0 128.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.155 . . . . 0.0 109.545 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -154.87 -43.99 0.09 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.271 -0.893 . . . . 0.0 109.659 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -113.12 142.63 45.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.534 -0.729 . . . . 0.0 109.355 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -38.96 84.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.01 -33.25 66.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.578 -0.701 . . . . 0.0 109.684 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.15 -36.28 67.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.963 -1.086 . . . . 0.0 108.09 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.57 -41.43 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -64.96 -40.36 94.88 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.393 -0.817 . . . . 0.0 110.219 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.22 -49.79 74.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.156 -0.965 . . . . 0.0 108.979 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.33 -41.15 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.457 -0.777 . . . . 0.0 109.282 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 27.1 ttt -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.396 -0.815 . . . . 0.0 110.498 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -47.16 86.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.061 -1.024 . . . . 0.0 108.442 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -63.12 -39.96 96.21 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.566 0.698 . . . . 0.0 109.16 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.37 -47.88 84.17 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.31 100.9 0.51 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.637 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.94 -40.9 90.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.66 -0.65 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -88.35 -11.81 45.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.985 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.0 31.13 69.62 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -72.26 -4.54 30.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -1.196 . . . . 0.0 110.987 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.06 -5.91 73.93 Favored Glycine 0 N--CA 1.496 2.691 0 O-C-N 120.705 -1.247 . . . . 0.0 110.54 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -136.97 162.66 32.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -1.137 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 38.1 t -103.81 107.25 18.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.967 -1.083 . . . . 0.0 109.997 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.56 176.52 5.37 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.076 0.941 . . . . 0.0 111.491 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -59.97 -49.88 75.93 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.357 0.598 . . . . 0.0 110.059 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.64 -54.93 40.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.227 -0.921 . . . . 0.0 109.22 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.7 mt-10 -59.95 -44.17 94.58 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.81 -1.181 . . . . 0.0 108.371 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -48.79 -39.99 27.32 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.2 tpt -69.56 -30.18 67.91 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.95 -57.12 11.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.017 -1.052 . . . . 0.0 108.304 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -49.87 -39.8 40.55 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.79 -41.51 92.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 89.9 p -71.7 -48.95 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 0.0 109.812 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -52.21 -40.72 61.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.8 -28.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.195 -0.941 . . . . 0.0 108.591 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.1 m -69.87 -43.2 72.31 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -69.96 -59.01 3.18 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.56 -40.74 9.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.573 -0.705 . . . . 0.0 109.715 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.0 t -59.93 123.24 16.44 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.201 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -81.66 145.4 30.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.431 -0.793 . . . . 0.0 109.561 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' B' ' 87' ' ' PHE . 98.8 mt-10 -52.85 -92.4 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.14 -0.975 . . . . 0.0 109.019 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' B' ' 86' ' ' GLU . 42.9 m-85 41.2 43.09 1.87 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.515 -0.74 . . . . 0.0 110.519 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.08 -44.26 94.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.148 -0.97 . . . . 0.0 109.213 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -80.07 99.04 7.51 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.469 -0.769 . . . . 0.0 110.073 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -160.0 164.4 33.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.477 -0.765 . . . . 0.0 109.336 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.043 -1.036 . . . . 0.0 109.479 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.99 -37.66 80.3 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 110.207 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.02 -35.75 74.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.019 -1.05 . . . . 0.0 109.798 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.0 109.717 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -62.8 -40.1 96.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.105 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.71 89.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.141 -0.974 . . . . 0.0 109.639 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 109.125 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.25 -34.41 53.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.775 -0.578 . . . . 0.0 109.719 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.11 86.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.891 -1.131 . . . . 0.0 109.651 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.58 -45.83 92.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.085 -1.01 . . . . 0.0 110.723 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.818 -1.176 . . . . 0.0 109.221 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -40.11 88.11 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -41.02 78.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.493 -0.754 . . . . 0.0 109.666 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.25 -57.36 7.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.132 -0.98 . . . . 0.0 110.26 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -59.78 -41.35 90.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.104 -0.997 . . . . 0.0 111.243 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.01 -39.97 75.53 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.293 -1.504 . . . . 0.0 108.835 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 47.2 t80 -73.32 -46.66 48.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.613 -0.68 . . . . 0.0 110.281 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -70.02 -21.08 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.89 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.62 20.71 36.76 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -82.18 -47.75 12.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.19 146.27 33.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.439 -0.788 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.74 -120.71 5.23 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -139.0 147.64 42.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.48 -1.012 . . . . 0.0 109.372 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 55.1 pttt -70.01 144.85 52.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.43 -0.794 . . . . 0.0 109.785 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 15.6 t60 81.77 13.59 0.59 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -147.9 104.65 3.59 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.47 130.08 47.64 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.173 -0.955 . . . . 0.0 110.507 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -91.23 162.98 14.41 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -59.77 -39.97 86.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.01 -1.056 . . . . 0.0 109.346 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 32.9 t -62.08 -40.04 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 108.952 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.94 -30.76 68.22 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -68.62 -39.95 80.59 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.9 -41.9 98.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.522 -0.736 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mp0 -60.46 -44.34 95.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.044 -1.035 . . . . 0.0 110.082 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.507 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 8.7 tt -59.91 -47.68 84.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.933 . . . . 0.0 110.258 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.18 -46.99 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 110.835 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -70.0 -21.55 63.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.56 -1.59 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.93 -1.106 . . . . 0.0 112.084 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.84 -49.63 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.322 -1.486 . . . . 0.0 111.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.48 120.63 25.73 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.61 -1.306 . . . . 0.0 109.791 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 p -150.47 -35.71 0.15 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.306 -0.871 . . . . 0.0 109.708 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.643 ' CD2' ' H ' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -79.17 -15.83 57.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.247 -0.908 . . . . 0.0 110.894 -179.204 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD2' ' CD2' ' A' ' 42' ' ' HIS . 64.9 m-85 -102.77 -18.97 14.9 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.019 -1.051 . . . . 0.0 109.473 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 46' ' ' GLU . 10.1 mp -112.86 163.41 14.66 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 57.4 mp0 -71.68 3.29 4.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.847 . . . . 0.0 109.463 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 43.5 tt0 78.51 21.27 0.8 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' GLU . 37.1 mm 46.88 95.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.447 -0.783 . . . . 0.0 109.929 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -80.0 -69.97 0.55 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.631 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -107.27 157.88 17.57 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.485 -0.76 . . . . 0.0 109.764 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.92 -37.77 80.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 0.0 109.756 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.09 39.44 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.264 -0.898 . . . . 0.0 109.915 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.67 -34.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.083 -1.011 . . . . 0.0 108.968 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.449 -0.782 . . . . 0.0 109.93 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.14 -41.87 93.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.278 -0.889 . . . . 0.0 110.408 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.75 -49.91 75.6 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.134 -0.979 . . . . 0.0 108.767 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.16 -40.65 83.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.732 -0.605 . . . . 0.0 109.581 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.58 -51.31 69.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.234 -0.916 . . . . 0.0 110.165 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.03 -41.68 99.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.062 -1.024 . . . . 0.0 108.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.43 -39.94 81.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.08 -39.97 75.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.483 -0.761 . . . . 0.0 109.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.31 104.09 1.41 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.074 -1.016 . . . . 0.0 109.636 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.23 -39.97 94.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.575 -0.703 . . . . 0.0 109.822 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -92.47 -7.62 46.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.24 -0.912 . . . . 0.0 111.265 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.53 73.01 Favored Glycine 0 N--CA 1.493 2.454 0 C-N-CA 119.502 -1.332 . . . . 0.0 109.947 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -70.36 -1.53 10.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.013 -1.287 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.49 -19.5 23.42 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.364 -0.922 . . . . 0.0 110.94 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 27.1 mp0 -124.26 173.65 8.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.155 -1.203 . . . . 0.0 109.055 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.8 104.08 13.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.351 -0.843 . . . . 0.0 109.512 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.14 176.09 4.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.418 -0.801 . . . . 0.0 110.512 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.02 -48.1 83.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.62 -0.675 . . . . 0.0 109.379 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -58.54 -55.13 39.02 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.956 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -43.14 95.54 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.963 -1.085 . . . . 0.0 108.473 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -50.46 -46.67 56.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.56 -39.97 80.83 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.08 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 110.416 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -91.89 -27.71 17.75 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.99 -42.14 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.433 ' O ' ' OG1' ' A' ' 81' ' ' THR . 46.2 t -66.78 -45.66 77.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.865 . . . . 0.0 108.942 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.38 -39.95 58.21 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.05 -1.031 . . . . 0.0 109.241 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.7 -29.86 47.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 78' ' ' SER . 56.5 p -81.41 -46.55 14.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 109.441 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 p -70.15 -15.11 62.91 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 109.872 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.79 65.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.251 -0.906 . . . . 0.0 109.048 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 95.3 m -78.97 144.72 34.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.58 -0.7 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -80.01 169.99 17.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.24 -0.912 . . . . 0.0 109.606 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.73 156.97 37.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.317 -0.864 . . . . 0.0 109.914 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 41.1 t80 59.96 25.32 14.49 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.677 -0.64 . . . . 0.0 110.022 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -60.09 -39.99 88.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.109 -0.994 . . . . 0.0 108.927 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.75 140.03 58.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.547 -0.721 . . . . 0.0 109.133 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.2 m80 56.23 26.77 10.79 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 0.0 110.033 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 C--N 1.296 -1.753 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.398 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.03 -37.55 80.09 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.201 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -69.96 -35.91 74.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.086 -1.009 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -66.32 -40.11 89.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 109.766 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.03 -40.1 96.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.986 -1.071 . . . . 0.0 109.987 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.61 89.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.926 . . . . 0.0 109.847 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.02 -49.74 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.326 -0.859 . . . . 0.0 109.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.26 -34.52 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.1 86.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.961 -1.087 . . . . 0.0 109.638 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.52 -45.94 92.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.111 -0.993 . . . . 0.0 110.714 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.08 -49.96 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.806 -1.184 . . . . 0.0 109.185 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.59 -41.08 77.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.783 . . . . 0.0 109.646 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.21 -57.35 7.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.224 -0.922 . . . . 0.0 110.289 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.7 -41.46 90.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.107 -0.996 . . . . 0.0 111.246 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.94 -40.05 75.72 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.293 -1.504 . . . . 0.0 108.87 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.665 ' HH ' ' N ' ' B' ' 35' ' ' LEU . 46.3 t80 -73.21 -46.94 47.47 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.465 -0.772 . . . . 0.0 110.396 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.518 ' HG ' ' H ' ' B' ' 25' ' ' HIS . 35.5 t -70.03 -20.88 63.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.775 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.52 20.5 37.7 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -82.17 -47.62 12.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.121 -1.223 . . . . 0.0 109.452 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.13 146.38 33.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.373 -0.829 . . . . 0.0 109.584 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.77 -120.78 5.25 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -138.94 147.67 42.56 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.492 -1.005 . . . . 0.0 109.366 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 55.5 pttt -70.13 144.68 51.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.336 -0.852 . . . . 0.0 109.812 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.518 ' H ' ' HG ' ' B' ' 18' ' ' SER . 15.9 t60 82.08 13.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -147.89 104.73 3.6 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.48 130.01 47.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.043 -1.036 . . . . 0.0 110.473 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.11 162.92 14.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.72 -40.04 86.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.027 -1.046 . . . . 0.0 109.319 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.443 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 32.6 t -61.96 -40.12 94.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.988 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.93 -30.7 68.17 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.755 0.788 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.5 -39.95 81.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -62.02 -41.89 98.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.589 -0.695 . . . . 0.0 110.627 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 30' ' ' SER . 2.6 mp0 -60.33 -44.52 95.42 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.016 -1.052 . . . . 0.0 110.053 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.665 ' N ' ' HH ' ' B' ' 17' ' ' TYR . 8.9 tt -60.0 -47.41 85.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.151 -0.968 . . . . 0.0 110.299 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.3 -47.0 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.202 -0.937 . . . . 0.0 110.834 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -70.02 -21.36 63.2 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.109 -0.995 . . . . 0.0 111.087 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -86.64 -1.77 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.879 -1.138 . . . . 0.0 112.23 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.64 -49.68 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.282 -1.511 . . . . 0.0 111.544 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -82.23 120.68 25.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.559 -1.338 . . . . 0.0 109.731 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 53.5 p -150.58 -35.73 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.348 -0.845 . . . . 0.0 109.692 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.624 ' H ' ' CD2' ' B' ' 42' ' ' HIS . 0.1 OUTLIER -79.33 -15.82 57.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.33 -0.856 . . . . 0.0 110.847 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.559 ' CD2' ' CD2' ' B' ' 42' ' ' HIS . 64.8 m-85 -102.77 -18.78 14.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.021 -1.049 . . . . 0.0 109.509 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mp -112.91 163.38 14.72 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 57.3 mp0 -71.75 3.5 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.486 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.6 tt0 78.26 21.35 0.85 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.415 0.626 . . . . 0.0 109.437 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' B' ' 46' ' ' GLU . 36.5 mm 46.92 95.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.443 -0.786 . . . . 0.0 109.957 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -79.96 -70.11 0.54 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.362 -0.836 . . . . 0.0 109.472 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -107.26 158.09 17.4 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.423 -0.798 . . . . 0.0 109.819 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -60.11 -37.65 80.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 0.0 109.674 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.04 39.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.249 -0.907 . . . . 0.0 109.931 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.62 -34.72 71.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.081 -1.012 . . . . 0.0 108.935 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.27 -46.5 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.16 -41.83 93.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.209 -0.932 . . . . 0.0 110.369 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.66 -49.9 75.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.103 -0.998 . . . . 0.0 108.792 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.27 -40.74 83.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.73 -0.606 . . . . 0.0 109.549 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.59 -51.19 69.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.292 -0.88 . . . . 0.0 110.254 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.0 -41.77 99.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 108.809 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -68.32 -39.99 81.78 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.0 -40.41 75.3 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.429 -0.794 . . . . 0.0 109.829 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.72 104.05 1.23 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.148 -0.97 . . . . 0.0 109.643 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.21 -40.0 94.65 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.544 -0.723 . . . . 0.0 109.884 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -92.49 -7.62 46.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.242 -0.911 . . . . 0.0 111.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.42 73.0 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.0 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.431 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 35.4 p-10 -70.12 -1.74 10.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.023 -1.28 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -19.48 23.85 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.355 -0.926 . . . . 0.0 110.862 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 27.1 mp0 -124.22 173.84 8.08 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.151 -1.205 . . . . 0.0 109.036 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.1 m -108.93 104.14 13.32 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.439 -0.788 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.25 176.18 4.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.427 -0.796 . . . . 0.0 110.505 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.0 -48.32 82.21 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.472 0.653 . . . . 0.0 109.292 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -58.44 -55.06 39.88 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.989 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -43.2 95.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.983 -1.073 . . . . 0.0 108.445 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.46 -46.47 56.73 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.8 -39.8 79.91 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.23 -13.1 2.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.051 -1.03 . . . . 0.0 110.411 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -91.72 -27.79 17.84 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.96 -42.32 89.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.437 ' O ' ' OG1' ' B' ' 81' ' ' THR . 45.5 t -66.71 -45.81 77.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 108.904 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.21 -40.03 57.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.147 -0.971 . . . . 0.0 109.308 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.6 -29.8 47.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 109.714 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 78' ' ' SER . 58.7 p -81.5 -46.67 14.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.165 -0.959 . . . . 0.0 109.4 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 p -70.03 -15.2 62.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.527 -0.733 . . . . 0.0 109.927 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.85 65.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 109.042 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.6 m -79.0 144.83 34.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.345 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -80.05 170.02 17.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.0 109.656 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.62 156.91 37.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.406 -0.809 . . . . 0.0 109.92 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.508 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 41.2 t80 59.91 25.25 14.37 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.725 -0.609 . . . . 0.0 110.047 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 108.917 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.65 140.03 58.82 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.392 -0.818 . . . . 0.0 109.014 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 m80 56.16 26.71 10.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.537 -0.727 . . . . 0.0 110.014 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--N 1.295 -1.778 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.42 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.525 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 97.4 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.19 -32.58 74.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 110.215 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.97 -38.14 75.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.1 mp0 -64.33 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.037 -1.039 . . . . 0.0 109.532 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.75 87.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.067 -1.02 . . . . 0.0 109.315 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.92 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.12 -48.02 83.46 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.191 -0.943 . . . . 0.0 109.123 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.05 -37.81 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.533 -0.729 . . . . 0.0 109.35 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.16 78.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.879 -1.138 . . . . 0.0 109.415 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.03 -47.99 83.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.98 -1.075 . . . . 0.0 110.575 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.05 -51.2 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.011 -1.056 . . . . 0.0 110.119 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.03 -40.53 89.68 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.346 -0.846 . . . . 0.0 109.135 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.0 -41.46 79.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.431 -0.793 . . . . 0.0 109.772 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.88 -55.9 28.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.105 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -59.9 -40.1 87.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.119 -0.988 . . . . 0.0 111.586 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.69 -40.31 92.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 119.977 -1.702 . . . . 0.0 110.399 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -71.34 -42.36 68.64 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.259 -0.9 . . . . 0.0 110.089 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.6 m -72.95 -13.22 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.645 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.59 13.95 62.69 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 121.142 -0.974 . . . . 0.0 110.824 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -68.92 -39.79 79.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.821 -1.399 . . . . 0.0 109.031 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -96.59 1.5 51.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.553 -0.717 . . . . 0.0 109.68 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.73 -9.97 75.32 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 39.5 p-10 -99.62 106.12 18.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.324 -1.104 . . . . 0.0 109.433 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 64.7 mttp -93.05 146.41 23.66 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.146 -0.971 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 10.6 t-80 74.76 31.39 0.92 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.615 -0.678 . . . . 0.0 109.994 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HZ3' ' NZ ' ' A' ' 28' ' ' LYS . 63.2 tttm -158.97 101.04 1.6 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mp -100.25 121.12 40.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.276 -0.89 . . . . 0.0 111.234 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' NZ ' ' HZ3' ' A' ' 26' ' ' LYS . 61.7 mttp -92.31 164.53 13.48 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.15 -38.58 73.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.112 -0.992 . . . . 0.0 110.018 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -34.29 74.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.035 -1.041 . . . . 0.0 109.151 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.54 -30.43 64.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.563 -0.711 . . . . 0.0 109.169 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.22 -41.79 89.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.422 -0.798 . . . . 0.0 109.456 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -63.92 -44.88 91.58 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.355 -0.841 . . . . 0.0 110.185 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -42.24 79.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.782 -1.199 . . . . 0.0 109.925 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.16 -49.08 79.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.873 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.19 -47.74 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 0.0 110.41 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -60.04 -41.4 92.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.068 -1.02 . . . . 0.0 111.101 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -72.66 -41.66 65.18 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.012 -1.055 . . . . 0.0 110.896 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -87.44 -75.06 0.42 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.454 -0.779 . . . . 0.0 111.44 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mp -82.01 120.76 25.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.035 . . . . 0.0 110.597 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -131.26 -60.05 0.96 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -81.82 -10.76 59.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.191 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -98.73 -0.56 42.52 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 tp -145.92 145.02 30.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.024 -1.047 . . . . 0.0 109.187 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 58.2 mp0 -69.93 142.23 52.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 108.9 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 51.5 mp0 -64.64 139.87 58.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -99.98 120.53 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.368 -0.832 . . . . 0.0 109.751 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -96.48 -22.88 16.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.892 . . . . 0.0 109.685 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -115.17 130.03 56.81 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' VAL . 54.5 tt0 -60.74 -38.9 86.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.653 -0.654 . . . . 0.0 110.246 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -46.24 -32.5 3.09 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.159 -0.963 . . . . 0.0 109.617 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.87 -31.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.326 -0.858 . . . . 0.0 108.893 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' GLN . 55.3 t -69.61 -41.15 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 108.869 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.15 -40.01 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.571 -0.706 . . . . 0.0 109.838 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -65.88 -40.62 91.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 108.767 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.05 -40.17 88.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.644 -0.66 . . . . 0.0 109.366 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 ttm -66.17 -44.39 84.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.28 -50.33 74.07 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 109.627 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -70.08 -39.99 75.26 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.509 -0.745 . . . . 0.0 109.651 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.05 -39.76 75.53 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.473 -0.767 . . . . 0.0 109.768 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 65.1 t0 -66.16 110.53 3.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.324 -0.86 . . . . 0.0 110.241 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.06 -49.69 76.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.686 -0.633 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -94.19 -1.22 54.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.039 -1.038 . . . . 0.0 111.264 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.74 71.99 Favored Glycine 0 N--CA 1.49 2.294 0 O-C-N 120.632 -1.293 . . . . 0.0 110.274 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 39.3 p-10 -72.58 -0.86 14.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.358 . . . . 0.0 109.717 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.71 28.37 65.33 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -159.43 159.5 33.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.8 t -113.92 103.54 11.27 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.096 -1.003 . . . . 0.0 109.203 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 35.3 t0 -71.03 175.42 5.2 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.144 0.973 . . . . 0.0 111.242 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.495 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 51.9 t80 -64.04 -44.25 93.07 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.717 0.77 . . . . 0.0 109.201 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -59.41 -54.83 42.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.949 -1.094 . . . . 0.0 109.403 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.0 mt-10 -60.17 -42.23 94.52 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.814 -1.179 . . . . 0.0 108.783 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -46.4 -39.92 11.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.3 mmm -69.05 -28.87 66.93 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.97 -55.58 27.95 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.2 -40.06 61.01 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.89 -43.8 96.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' THR . 66.1 m -71.48 -47.69 53.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.893 . . . . 0.0 110.037 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.2 ttt -51.33 -40.47 59.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.427 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.4 -26.14 38.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' SER . 17.6 m -81.06 -49.92 10.29 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.523 0.678 . . . . 0.0 109.203 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 p -70.71 -16.72 62.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.387 -0.82 . . . . 0.0 110.145 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.04 94.36 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 108.7 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.4 m -88.81 77.46 7.8 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -60.29 -40.01 88.93 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.33 -0.856 . . . . 0.0 109.137 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.46 143.48 44.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.318 -0.864 . . . . 0.0 109.195 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -74.68 129.59 38.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.087 -1.008 . . . . 0.0 108.861 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' CE2' ' O ' ' A' ' 89' ' ' GLU . 64.5 t80 -60.64 134.29 56.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.917 . . . . 0.0 109.91 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.513 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 85.4 tt0 -82.43 133.77 35.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.452 -0.78 . . . . 0.0 109.164 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.6 139.17 41.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.066 -1.021 . . . . 0.0 109.3 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.191 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.481 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 89.5 p . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.24 -32.78 74.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.071 . . . . 0.0 110.185 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.09 -37.69 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.994 -1.066 . . . . 0.0 110.529 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 1' ' ' SER . 1.8 mp0 -64.07 -40.21 95.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.043 -1.036 . . . . 0.0 109.458 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.31 -39.96 88.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.965 -1.084 . . . . 0.0 109.42 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.372 -0.83 . . . . 0.0 109.559 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttm -60.0 -47.93 83.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.099 -1.001 . . . . 0.0 109.053 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.06 -37.48 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.55 -0.719 . . . . 0.0 109.235 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.11 80.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.75 -1.219 . . . . 0.0 109.488 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.94 -48.13 82.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.145 -0.972 . . . . 0.0 110.498 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.401 HD11 HG23 ' B' ' 11' ' ' ILE . 85.0 mt -59.91 -51.2 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.904 -1.123 . . . . 0.0 110.171 -178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.07 -40.35 89.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.95 -41.72 79.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 109.889 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.0 -55.81 29.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.787 -1.196 . . . . 0.0 111.11 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -60.03 -40.01 87.84 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.211 -0.93 . . . . 0.0 111.527 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.82 -39.96 91.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.097 -1.627 . . . . 0.0 110.44 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -71.58 -42.37 67.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.326 -0.858 . . . . 0.0 110.102 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.5 m -73.12 -13.05 61.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.0 109.522 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.31 13.62 63.16 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -68.97 -39.79 79.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.835 -1.391 . . . . 0.0 109.272 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -96.7 1.83 51.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.452 -0.78 . . . . 0.0 109.659 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.81 -10.68 72.92 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -99.0 106.41 18.66 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.238 -1.154 . . . . 0.0 109.44 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 63.9 mttp -93.21 146.41 23.71 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.277 -0.889 . . . . 0.0 109.749 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.421 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 11.1 t-80 74.7 31.06 0.97 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.6 0.714 . . . . 0.0 109.952 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.519 ' NZ ' ' HZ3' ' B' ' 28' ' ' LYS . 63.3 tttm -158.55 101.16 1.67 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mp -100.35 120.99 40.78 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.156 -0.965 . . . . 0.0 111.247 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.519 ' HZ3' ' NZ ' ' B' ' 26' ' ' LYS . 62.0 mttp -91.72 164.12 13.84 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -56.95 -38.98 73.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.266 -0.896 . . . . 0.0 109.723 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -60.68 -34.46 74.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -72.16 -30.55 65.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.02 -41.69 90.64 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.479 -0.763 . . . . 0.0 109.413 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -63.98 -45.08 90.65 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.204 -0.935 . . . . 0.0 110.244 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.49 -42.4 78.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 109.763 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 54.6 tp -59.88 -49.17 78.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.461 -0.774 . . . . 0.0 110.026 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.94 -47.83 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.837 . . . . 0.0 110.337 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.16 -41.65 93.24 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.949 -1.094 . . . . 0.0 111.029 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -72.12 -41.9 66.7 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.037 -1.039 . . . . 0.0 110.942 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -87.51 -75.03 0.42 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 111.291 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.23 120.78 25.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.954 -1.091 . . . . 0.0 110.628 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 63.1 p -131.2 -60.08 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -81.54 -10.97 59.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.162 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -98.87 -0.9 41.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.348 -0.845 . . . . 0.0 109.956 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.36 145.17 31.08 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.05 -1.031 . . . . 0.0 109.242 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 58.7 mp0 -70.12 142.01 52.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 0.0 108.87 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 52.9 mp0 -64.42 140.03 58.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.298 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.421 HD12 HG22 ' B' ' 47' ' ' ILE . 87.6 mt -100.4 120.56 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.338 -0.851 . . . . 0.0 109.507 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -96.48 -22.24 17.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.053 -1.029 . . . . 0.0 109.711 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -115.41 130.23 56.82 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.292 -0.88 . . . . 0.0 110.822 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' B' ' 53' ' ' VAL . 54.3 tt0 -60.9 -38.91 87.32 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.652 -0.655 . . . . 0.0 110.305 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -46.26 -32.6 3.17 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 -31.25 52.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.289 -0.882 . . . . 0.0 108.922 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.5 t -69.51 -41.34 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.423 -0.798 . . . . 0.0 108.922 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -61.95 -40.12 94.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.982 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.08 -40.12 90.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.153 -0.967 . . . . 0.0 108.845 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.27 -40.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.705 -0.622 . . . . 0.0 109.382 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 5.8 ttm -66.36 -44.26 83.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.328 -0.858 . . . . 0.0 110.043 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.29 -50.36 73.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.405 -0.809 . . . . 0.0 109.725 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.5 m -70.1 -40.24 75.06 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.645 0.736 . . . . 0.0 109.41 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.0 -40.0 75.55 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.674 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 65.3 t0 -65.77 110.59 2.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.259 -0.901 . . . . 0.0 110.344 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.28 -49.35 77.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.767 -0.583 . . . . 0.0 110.77 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 48.5 p-10 -94.56 -0.85 54.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.032 -1.042 . . . . 0.0 111.362 -178.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.74 28.56 71.83 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 119.545 -1.312 . . . . 0.0 110.283 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.505 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 39.6 p-10 -72.56 -1.08 14.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.878 -1.366 . . . . 0.0 109.71 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 26.58 66.51 Favored Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.886 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -158.84 159.51 35.14 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 22.3 t -113.22 103.24 11.14 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.968 -1.082 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.4 t0 -70.9 175.61 4.95 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 122.273 1.035 . . . . 0.0 111.104 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.436 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 52.6 t80 -64.33 -44.17 92.37 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.178 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.18 -55.0 40.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.035 -1.041 . . . . 0.0 109.346 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 75' ' ' ALA . 97.1 mt-10 -59.82 -42.67 94.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.811 -1.181 . . . . 0.0 108.92 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -46.35 -39.94 11.1 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -68.87 -29.23 67.49 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 0.0 108.577 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.08 -55.3 30.4 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.15 -40.06 60.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -43.79 96.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 81' ' ' THR . 70.9 m -71.05 -48.36 53.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.544 -0.723 . . . . 0.0 109.947 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ttt -51.0 -40.42 58.06 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.965 . . . . 0.0 109.586 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 78.0 t -65.75 -25.85 37.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.432 ' N ' ' O ' ' B' ' 78' ' ' SER . 15.7 m -81.39 -49.88 10.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -70.64 -16.98 62.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.1 94.93 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 108.681 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 68.0 m -88.48 77.03 8.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -60.11 -39.81 87.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.386 -0.821 . . . . 0.0 109.311 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.5 143.39 44.61 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.27 -0.894 . . . . 0.0 109.12 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -74.85 129.43 37.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.027 -1.046 . . . . 0.0 108.922 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.522 ' CE2' ' O ' ' B' ' 89' ' ' GLU . 64.4 t80 -60.49 134.11 56.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.162 -0.961 . . . . 0.0 109.945 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.522 ' O ' ' CE2' ' B' ' 88' ' ' PHE . 85.6 tt0 -82.3 133.71 35.25 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -75.79 139.32 41.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.043 -1.036 . . . . 0.0 109.322 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.182 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 58.9 mp0 -59.97 -39.28 85.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.281 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.76 -36.13 72.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.859 -1.151 . . . . 0.0 109.419 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 85.8 tt0 -69.36 -40.06 77.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.034 -1.042 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.94 -39.86 86.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.98 87.71 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.2 ttp -61.58 -50.54 72.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.404 -0.81 . . . . 0.0 109.555 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -40.11 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 90.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.286 -0.884 . . . . 0.0 109.694 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.93 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 11' ' ' ILE . 96.7 mt -60.05 -49.93 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.092 . . . . 0.0 109.109 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.99 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.277 -0.89 . . . . 0.0 108.705 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.45 -40.07 83.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.45 -54.75 31.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.136 -0.977 . . . . 0.0 110.547 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.97 -41.19 91.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.15 -0.968 . . . . 0.0 111.755 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.28 -40.06 77.98 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.403 -1.436 . . . . 0.0 110.157 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -74.96 -45.82 39.7 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.484 -0.887 . . . . 0.0 110.275 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -70.37 -20.16 62.98 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 110.127 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.19 20.69 20.04 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -88.65 -55.81 3.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.273 . . . . 0.0 108.77 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -139.85 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.87 179.04 33.36 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -60.11 -54.47 45.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.239 . . . . 0.0 109.648 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -176.77 -66.63 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.437 -0.789 . . . . 0.0 110.008 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.886 ' NE2' ' HZ1' ' A' ' 26' ' ' LYS . 29.1 p-80 -109.51 25.04 12.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.109 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.886 ' HZ1' ' NE2' ' A' ' 25' ' ' HIS . 13.9 mptt -105.26 121.55 44.09 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -98.09 121.97 40.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.342 -0.849 . . . . 0.0 109.152 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -90.93 163.36 14.39 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.933 -1.104 . . . . 0.0 108.988 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.2 p -63.91 -40.04 95.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.03 -1.044 . . . . 0.0 108.561 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.03 -32.56 70.76 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.616 0.722 . . . . 0.0 109.189 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.98 -40.53 75.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 109.57 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HZ1' ' CB ' ' A' ' 33' ' ' LYS . 7.4 ttpm? -63.41 -40.08 96.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.364 -0.835 . . . . 0.0 109.988 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.8 -43.59 83.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 109.309 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.93 -46.5 89.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.501 -0.749 . . . . 0.0 109.348 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.2 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.737 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -39.96 94.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.126 -0.984 . . . . 0.0 110.304 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -78.88 -51.55 9.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.172 -0.955 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -86.04 -73.93 0.43 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.074 -1.016 . . . . 0.0 111.439 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 36' ' ' ILE . 5.4 mp -88.79 94.9 10.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.863 -1.148 . . . . 0.0 110.857 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 t -140.37 -36.06 0.49 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -73.55 -7.0 50.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.62 -0.675 . . . . 0.0 110.404 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CZ ' ' OE2' ' B' ' 4' ' ' GLU . 84.7 m-85 -113.9 -9.53 13.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.066 -1.021 . . . . 0.0 109.031 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.31 174.67 5.78 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.836 0.827 . . . . 0.0 110.347 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -89.52 13.81 12.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.764 -0.585 . . . . 0.0 110.042 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.02 96.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.4 -0.812 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 93.3 mt -67.26 123.89 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.037 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -103.54 -24.77 13.39 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.599 -0.688 . . . . 0.0 109.938 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -100.55 136.48 40.36 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.207 -0.933 . . . . 0.0 110.273 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -68.75 -39.94 80.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.329 -0.857 . . . . 0.0 109.56 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.36 -31.95 55.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.82 . . . . 0.0 109.799 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.41 -33.88 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.99 -44.64 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.09 -49.94 75.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.681 -0.637 . . . . 0.0 109.896 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -59.92 -49.93 75.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.01 -40.96 89.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tpt -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.319 -0.863 . . . . 0.0 109.709 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.0 -41.99 93.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.142 -0.974 . . . . 0.0 108.915 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -66.57 -40.02 88.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.48 -0.762 . . . . 0.0 109.317 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -41.16 69.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.618 -0.677 . . . . 0.0 109.905 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.62 99.62 0.61 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.031 -1.043 . . . . 0.0 110.657 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.09 -39.9 90.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 108.947 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -86.41 -10.78 53.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.494 -0.754 . . . . 0.0 110.387 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.68 74.11 Favored Glycine 0 N--CA 1.492 2.42 0 C-N-CA 119.872 -1.156 . . . . 0.0 110.279 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 38.2 p-10 -72.54 -5.67 38.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.94 -1.329 . . . . 0.0 110.244 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.01 -9.18 40.01 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.748 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 14.6 pt-20 -137.95 164.5 28.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.933 -1.333 . . . . 0.0 107.784 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.81 107.71 17.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.847 -1.158 . . . . 0.0 110.095 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -72.88 -179.04 2.98 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.79 0.805 . . . . 0.0 110.487 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.06 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.349 0.595 . . . . 0.0 110.216 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 25.8 mp0 -58.64 -54.62 45.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.097 -1.002 . . . . 0.0 109.752 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -41.06 91.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.919 -1.113 . . . . 0.0 108.324 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -51.53 -39.95 58.71 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -65.9 -28.36 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.189 -0.945 . . . . 0.0 108.988 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -66.34 -53.65 33.76 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.17 -40.0 45.45 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -41.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 81' ' ' THR . 59.7 p -70.07 -48.19 58.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ttt -47.93 -40.57 22.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.37 -0.831 . . . . 0.0 109.427 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.92 -27.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' SER . 12.4 m -83.06 -47.21 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -69.02 -16.56 63.74 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.603 -0.686 . . . . 0.0 109.959 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.29 -64.66 1.05 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 108.62 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.2 m -77.42 68.87 3.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.671 -0.643 . . . . 0.0 109.621 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -60.11 -40.07 88.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.289 -0.882 . . . . 0.0 109.532 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -69.46 140.14 54.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 0.0 109.53 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 78.5 t80 -67.32 138.0 56.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.214 -0.929 . . . . 0.0 109.474 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 64.1 m-85 -61.61 141.74 57.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.261 -0.899 . . . . 0.0 109.779 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.12 139.81 57.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.262 -0.899 . . . . 0.0 109.571 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.366 -0.834 . . . . 0.0 109.979 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.851 -179.182 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.448 ' HG ' ' CB ' ' B' ' 4' ' ' GLU . 54.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 58.4 mp0 -59.95 -39.47 85.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.915 . . . . 0.0 110.308 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.8 -36.03 72.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.096 . . . . 0.0 109.413 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.489 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 86.3 tt0 -69.57 -39.92 77.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.993 -1.067 . . . . 0.0 110.236 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.07 -39.86 87.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.218 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.88 88.04 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.9 ttp -61.85 -50.35 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.157 -0.964 . . . . 0.0 109.026 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.88 90.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.842 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.98 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.295 -0.878 . . . . 0.0 110.067 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.061 -1.025 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 108.654 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.55 -40.06 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -0.95 . . . . 0.0 109.158 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.53 -54.74 31.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.178 -0.951 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -60.06 -40.71 90.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.087 -1.008 . . . . 0.0 111.825 -177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.43 -39.92 77.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.367 -1.458 . . . . 0.0 110.162 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -75.37 -45.39 39.56 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 110.253 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -70.28 -20.52 63.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.218 -0.926 . . . . 0.0 110.084 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.99 20.62 19.45 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.74 -55.8 3.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.011 -1.288 . . . . 0.0 108.803 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.82 159.85 41.24 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.4 179.29 32.54 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 23' ' ' ASP . 35.7 t0 -60.52 -54.85 40.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.212 -1.17 . . . . 0.0 109.494 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -176.25 -66.72 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 110.072 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.939 ' NE2' ' HZ2' ' B' ' 26' ' ' LYS . 27.2 p-80 -109.38 25.29 11.97 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.47 -0.768 . . . . 0.0 109.978 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.939 ' HZ2' ' NE2' ' B' ' 25' ' ' HIS . 13.6 mptt -105.23 121.48 43.94 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 91.8 mt -97.82 121.74 40.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.271 -0.893 . . . . 0.0 109.186 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -91.08 163.5 14.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -59.96 -40.02 87.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.957 -1.089 . . . . 0.0 109.066 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -63.64 -39.96 95.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.969 -1.082 . . . . 0.0 108.573 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.04 -32.7 70.95 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.627 0.727 . . . . 0.0 109.168 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.93 -40.68 75.38 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.619 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -63.37 -40.27 96.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.394 -0.816 . . . . 0.0 109.88 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -66.57 -43.77 84.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.105 -0.997 . . . . 0.0 109.396 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.1 tp -59.88 -47.07 87.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.143 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' B' ' 40' ' ' LEU . 93.1 mt -61.39 -44.18 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.186 -0.946 . . . . 0.0 109.767 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.44 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 110.338 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -79.12 -51.65 9.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -85.84 -73.58 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.029 -1.044 . . . . 0.0 111.495 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 36' ' ' ILE . 5.3 mp -89.0 94.74 10.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -140.2 -36.24 0.49 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -73.32 -7.12 50.24 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.58 -0.7 . . . . 0.0 110.482 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 4' ' ' GLU . 83.5 m-85 -113.81 -9.83 13.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.077 -1.014 . . . . 0.0 108.963 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -106.99 174.73 5.76 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.86 0.838 . . . . 0.0 110.385 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.46 13.72 13.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.849 -0.532 . . . . 0.0 109.968 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.03 96.24 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.578 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.45 123.96 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 110.022 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -103.76 -24.38 13.33 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.535 -0.728 . . . . 0.0 109.975 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -100.8 136.65 40.33 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.162 -0.961 . . . . 0.0 110.151 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -68.68 -40.06 80.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.824 . . . . 0.0 109.447 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.18 -32.16 54.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.448 -0.783 . . . . 0.0 109.744 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.38 -33.97 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 0.0 108.841 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.94 -44.75 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.96 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.521 -0.737 . . . . 0.0 109.996 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.96 -49.8 76.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 108.362 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.9 -40.97 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.619 -0.676 . . . . 0.0 109.295 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.5 tpt -60.02 -50.07 75.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 0.0 109.786 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 0.0 108.876 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -66.54 -40.05 88.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.772 . . . . 0.0 109.342 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -41.88 69.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.625 -0.672 . . . . 0.0 109.866 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -66.29 99.82 0.57 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.93 -1.106 . . . . 0.0 110.721 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.19 -39.62 89.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.954 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -86.63 -10.67 53.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.442 -0.786 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.91 24.36 74.34 Favored Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.809 -1.186 . . . . 0.0 110.174 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 38.4 p-10 -72.33 -5.92 39.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.966 -1.314 . . . . 0.0 110.351 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.27 -9.38 40.93 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.732 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.435 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 14.6 pt-20 -137.93 164.47 28.93 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.054 -1.262 . . . . 0.0 107.869 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.4 t -109.82 107.7 17.76 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.856 -1.153 . . . . 0.0 110.015 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -72.74 -179.42 3.1 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.719 0.771 . . . . 0.0 110.455 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.05 -49.62 76.93 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.476 0.655 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 25.8 mp0 -58.58 -54.96 41.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.106 -0.996 . . . . 0.0 109.725 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.959 -1.088 . . . . 0.0 108.356 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 92.3 t80 -51.33 -39.93 58.0 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.781 -0.768 . . . . 0.0 108.968 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.4 tpt -65.79 -28.54 69.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.4 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -66.67 -53.27 35.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 0.0 108.683 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.04 -39.94 43.34 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.2 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.53 ' O ' ' N ' ' B' ' 81' ' ' THR . 60.0 p -69.97 -48.31 58.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.83 . . . . 0.0 109.398 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.3 ttt -48.13 -40.54 23.94 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.271 -0.893 . . . . 0.0 109.339 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -68.61 -27.77 37.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.53 ' N ' ' O ' ' B' ' 78' ' ' SER . 12.3 m -82.92 -47.5 11.73 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.759 0.79 . . . . 0.0 109.109 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -68.49 -16.78 64.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.714 -0.616 . . . . 0.0 109.976 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.46 -64.82 1.02 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.509 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.9 m -77.13 68.84 3.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.498 -0.751 . . . . 0.0 109.66 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.16 -39.93 88.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.311 -0.868 . . . . 0.0 109.656 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.59 140.38 53.77 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 109.5 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' B' ' 88' ' ' PHE . 80.7 t80 -67.41 138.05 56.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.159 -0.963 . . . . 0.0 109.475 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.503 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 62.8 m-85 -61.59 141.62 57.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.124 -0.985 . . . . 0.0 109.732 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.05 139.5 57.42 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -59.95 -40.07 87.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.346 -0.846 . . . . 0.0 110.063 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.784 -179.234 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -35.41 75.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.202 -0.936 . . . . 0.0 110.196 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.5 -33.27 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.814 -1.179 . . . . 0.0 109.813 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.21 -41.97 99.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.03 -39.91 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.3 -0.875 . . . . 0.0 110.004 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.52 85.46 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 67.1 mtt -59.91 -47.41 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.051 -1.031 . . . . 0.0 109.291 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -59.96 -40.07 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.613 -0.68 . . . . 0.0 110.97 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.3 93.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.64 -1.287 . . . . 0.0 110.503 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.98 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.884 -1.135 . . . . 0.0 109.539 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.99 -51.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.933 -1.105 . . . . 0.0 109.717 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -42.84 94.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 109.847 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.9 -42.03 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.13 -53.67 55.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.137 -0.977 . . . . 0.0 110.027 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.96 -43.67 94.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 112.077 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.72 -39.95 76.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.304 -1.498 . . . . 0.0 109.513 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CZ ' ' NH2' ' A' ' 20' ' ' ARG . 65.2 t80 -69.06 -46.22 68.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.528 -0.732 . . . . 0.0 109.17 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -76.12 -18.05 59.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.62 13.67 61.86 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.596 ' NH2' ' CZ ' ' A' ' 17' ' ' TYR . 85.3 mtm180 -72.15 -39.65 68.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.874 -1.368 . . . . 0.0 108.499 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' A' ' 23' ' ' ASP . 31.6 mp0 -108.92 161.55 15.04 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.38 37.17 0.12 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' A' ' 21' ' ' GLU . 43.4 p-10 -125.75 92.32 3.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.36 -1.083 . . . . 0.0 108.86 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 99.0 mttt -100.09 122.76 43.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.169 -0.957 . . . . 0.0 111.253 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.3 t-80 87.94 28.91 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.132 0.492 . . . . 0.0 110.905 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -170.86 123.59 0.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.8 mt -109.75 142.74 40.55 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.797 0.808 . . . . 0.0 110.799 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -97.3 167.65 10.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -58.01 -39.61 78.73 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -59.96 -38.25 81.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.016 -1.053 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.04 -34.55 73.38 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.12 -42.43 76.07 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.716 -0.615 . . . . 0.0 109.407 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -66.96 -40.02 87.38 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.336 -0.853 . . . . 0.0 110.225 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 88.1 tt0 -59.98 -42.95 95.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.061 -1.024 . . . . 0.0 109.546 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' GLU . 61.8 tp -58.98 -43.05 91.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.8 mt -62.08 -42.68 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.105 -0.997 . . . . 0.0 109.347 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.09 -45.36 93.21 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 109.566 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -80.71 -42.96 21.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.549 -0.719 . . . . 0.0 110.803 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 36' ' ' ILE . 23.2 tp10 -113.61 164.85 13.14 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.381 -0.824 . . . . 0.0 110.294 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mp 61.31 21.35 11.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.364 -0.835 . . . . 0.0 110.371 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.7 m -64.03 -45.71 87.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 109.411 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -81.46 -24.12 37.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.219 -0.926 . . . . 0.0 110.115 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -98.54 0.03 44.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.72 134.05 7.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.908 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 42.5 mp0 -72.4 140.85 48.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.861 . . . . 0.0 109.411 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.66 136.99 58.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.17 -0.956 . . . . 0.0 108.736 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 47' ' ' ILE . 85.3 mt -107.02 119.98 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.42 -0.8 . . . . 0.0 109.284 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -96.32 -13.0 23.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 57.4 mp0 -99.59 118.8 36.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.087 -1.008 . . . . 0.0 109.705 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.04 -39.24 94.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.375 -0.828 . . . . 0.0 109.47 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -53.81 -35.37 61.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.505 -0.747 . . . . 0.0 109.605 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.2 -36.34 67.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.854 -1.154 . . . . 0.0 108.315 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.97 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -59.98 -40.39 88.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.73 -44.3 97.18 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.02 -1.05 . . . . 0.0 109.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.97 -41.88 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.315 -0.865 . . . . 0.0 109.542 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 ttt -60.16 -47.68 84.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.352 -0.842 . . . . 0.0 110.971 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.06 -41.05 91.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.945 -1.097 . . . . 0.0 109.095 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.01 95.18 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.577 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -72.41 -39.98 67.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.49 -0.757 . . . . 0.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.74 93.79 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.027 -1.046 . . . . 0.0 110.645 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.6 mp0 -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.152 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -82.47 -15.52 52.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.935 . . . . 0.0 110.277 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.09 29.93 70.2 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -76.47 0.09 21.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.121 -1.223 . . . . 0.0 110.523 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.11 2.02 65.05 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.783 -1.198 . . . . 0.0 110.223 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -139.92 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -106.95 108.44 19.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.867 -1.146 . . . . 0.0 109.078 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -70.23 -178.73 1.75 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.288 -0.882 . . . . 0.0 110.173 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.98 -50.06 75.25 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.536 0.684 . . . . 0.0 109.584 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.41 -52.18 66.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 109.614 -177.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.02 -44.27 94.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.625 -1.297 . . . . 0.0 108.188 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -47.14 -42.66 19.81 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' VAL . 96.5 mmm -70.09 -39.98 75.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.94 -12.86 0.91 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.939 -1.1 . . . . 0.0 110.184 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -91.73 -30.28 16.35 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' MET . 54.6 t -66.33 -39.92 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.732 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.8 p -71.32 -50.49 31.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 110.159 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 ttt -54.26 -39.97 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.983 -1.073 . . . . 0.0 108.683 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.99 -33.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -62.62 -43.04 99.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.413 -0.804 . . . . 0.0 109.176 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -70.44 -51.98 25.5 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.143 -0.973 . . . . 0.0 108.705 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.43 -39.79 23.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.502 -0.749 . . . . 0.0 109.516 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.8 m -56.38 140.01 46.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.0 109.309 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -60.54 138.69 58.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.315 -0.865 . . . . 0.0 109.775 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -75.0 139.92 43.25 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.378 -0.826 . . . . 0.0 109.319 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.502 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 59.6 t80 50.0 70.14 0.53 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.169 -0.957 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 89' ' ' GLU . 64.0 t80 -62.53 140.05 58.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.231 -0.918 . . . . 0.0 109.028 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.532 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 19.6 pt-20 -80.17 149.94 30.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.08 -1.013 . . . . 0.0 110.058 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 89' ' ' GLU . 17.2 m80 53.95 100.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.234 -0.916 . . . . 0.0 109.374 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.299 -1.619 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.461 -179.8 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.05 -35.05 74.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.09 -33.21 74.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.802 -1.187 . . . . 0.0 109.649 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.94 -42.19 99.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 109.94 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.903 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.63 85.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.486 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.04 -47.25 86.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.105 -0.997 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.04 -40.03 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.575 -0.703 . . . . 0.0 111.049 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.96 94.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.675 -1.265 . . . . 0.0 110.632 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.03 -49.43 77.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.04 -1.038 . . . . 0.0 109.505 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -51.9 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.991 -1.068 . . . . 0.0 109.82 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.1 -42.76 95.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.73 -42.28 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 109.472 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.06 -53.73 54.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.058 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.92 -43.63 94.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.185 -0.947 . . . . 0.0 112.097 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.74 -40.01 76.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.32 -1.488 . . . . 0.0 109.358 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.594 ' CZ ' ' NH2' ' B' ' 20' ' ' ARG . 64.7 t80 -69.06 -46.2 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 109.287 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.0 t -76.07 -18.1 59.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.56 13.56 62.05 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.594 ' NH2' ' CZ ' ' B' ' 17' ' ' TYR . 84.7 mtm180 -72.08 -39.52 68.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.761 -1.435 . . . . 0.0 108.602 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' B' ' 23' ' ' ASP . 31.6 mp0 -108.99 161.57 15.03 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.58 37.4 0.13 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 21' ' ' GLU . 43.8 p-10 -125.77 92.09 3.53 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -1.092 . . . . 0.0 108.895 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 99.2 mttt -99.91 123.03 43.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.152 -0.968 . . . . 0.0 111.297 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.3 t-80 87.86 28.77 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.091 0.472 . . . . 0.0 110.901 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -170.8 123.55 0.63 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.207 -0.933 . . . . 0.0 109.157 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -109.78 142.59 40.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.836 0.827 . . . . 0.0 110.883 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -97.15 167.6 10.95 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -57.97 -39.6 78.57 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.456 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 59.5 p -60.07 -38.18 82.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 108.769 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.456 ' N ' ' HG ' ' B' ' 30' ' ' SER . 45.9 mt-10 -70.0 -34.55 73.47 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 108.731 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.24 -42.16 76.02 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.511 ' CB ' ' HZ3' ' B' ' 33' ' ' LYS . 8.0 ttpm? -67.06 -40.0 86.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.167 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.53 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 87.8 tt0 -60.01 -43.06 95.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.039 -1.038 . . . . 0.0 109.535 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 39' ' ' GLU . 62.5 tp -58.93 -42.94 90.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.595 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' B' ' 39' ' ' GLU . 85.9 mt -62.15 -42.65 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 109.337 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -60.05 -45.36 93.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.817 -1.177 . . . . 0.0 109.466 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.74 -43.06 20.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.518 -0.739 . . . . 0.0 110.767 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' B' ' 36' ' ' ILE . 23.3 tp10 -113.48 165.01 12.9 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.399 -0.813 . . . . 0.0 110.327 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp 61.15 21.4 11.83 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.859 . . . . 0.0 110.397 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 62.2 m -64.01 -45.75 87.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.943 -1.098 . . . . 0.0 109.406 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -81.47 -24.33 36.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.38 0.02 44.56 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.276 -0.89 . . . . 0.0 110.099 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.63 134.05 7.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.06 -1.025 . . . . 0.0 108.897 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 42.6 mp0 -72.34 140.94 48.77 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.277 -0.89 . . . . 0.0 109.51 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.71 136.92 58.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.971 . . . . 0.0 108.721 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -106.88 120.05 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.532 -0.73 . . . . 0.0 109.3 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -96.36 -12.88 23.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.4 mp0 -99.86 118.74 36.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.217 -0.927 . . . . 0.0 109.66 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.15 -39.19 93.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.303 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -53.6 -35.53 60.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 109.666 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.01 -36.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.002 -1.061 . . . . 0.0 108.379 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.95 -40.05 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.683 -0.636 . . . . 0.0 109.285 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -59.92 -40.37 88.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.357 -0.839 . . . . 0.0 110.18 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.81 -44.42 96.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.036 -1.04 . . . . 0.0 108.974 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.99 -41.83 79.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.24 -0.913 . . . . 0.0 109.678 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.4 ttt -60.22 -47.61 85.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.986 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -41.1 91.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.921 -1.112 . . . . 0.0 109.149 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.03 95.25 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 109.466 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.32 -40.5 67.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.57 94.45 0.99 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.67 -1.269 . . . . 0.0 110.688 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.0 mp0 -60.05 -40.02 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.093 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -82.53 -15.26 53.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.259 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.98 29.86 70.46 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -76.39 -0.08 21.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.205 -1.174 . . . . 0.0 110.517 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.26 2.12 66.19 Favored Glycine 0 N--CA 1.491 2.34 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.264 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -139.97 159.99 40.94 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.3 t -106.89 108.37 19.85 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.929 -1.107 . . . . 0.0 109.058 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -70.12 -178.81 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.274 -0.891 . . . . 0.0 110.148 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.06 -49.89 75.86 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.495 0.664 . . . . 0.0 109.67 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -59.48 -52.16 66.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 109.639 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.96 -44.31 94.51 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.684 -1.26 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -47.18 -42.57 20.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.44 ' O ' ' N ' ' B' ' 77' ' ' VAL . 97.2 mmm -70.02 -39.98 75.49 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.99 -12.88 0.93 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.947 -1.095 . . . . 0.0 110.202 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.86 -30.03 16.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' B' ' 74' ' ' MET . 54.6 t -66.4 -39.98 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.72 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.593 ' HG ' ' H ' ' B' ' 79' ' ' MET . 82.9 p -71.35 -50.39 32.79 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.024 -1.047 . . . . 0.0 110.2 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.593 ' H ' ' HG ' ' B' ' 78' ' ' SER . 25.7 ttt -54.26 -40.04 67.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.959 -1.088 . . . . 0.0 108.635 -178.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 45.8 t -69.91 -33.45 55.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 0.0 109.16 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.6 p -70.48 -51.86 26.07 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.061 -1.024 . . . . 0.0 108.701 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.56 -39.81 24.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.772 . . . . 0.0 109.515 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.9 m -56.28 140.06 46.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.232 -0.918 . . . . 0.0 109.327 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -60.52 138.47 58.02 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.316 -0.865 . . . . 0.0 109.741 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -74.96 140.02 43.38 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.298 -0.876 . . . . 0.0 109.364 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 60.3 t80 50.07 69.97 0.55 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.539 ' CD2' ' O ' ' B' ' 89' ' ' GLU . 63.7 t80 -62.43 140.03 58.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 108.941 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 19.4 pt-20 -80.04 150.04 30.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.148 -0.97 . . . . 0.0 110.121 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' B' ' 89' ' ' GLU . 17.0 m80 53.67 100.07 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.194 -0.941 . . . . 0.0 109.386 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.298 -1.649 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.414 -179.783 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.256 0.55 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.04 -35.77 75.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.208 -0.933 . . . . 0.0 110.33 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 2.8 mm? -67.49 -33.23 74.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.706 -1.246 . . . . 0.0 109.861 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.13 -44.24 95.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.052 -1.03 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.82 -38.89 86.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.338 -0.851 . . . . 0.0 110.275 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.27 78.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.83 -45.0 75.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.973 -1.079 . . . . 0.0 109.728 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.13 -40.61 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.162 -0.961 . . . . 0.0 110.229 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.15 95.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.826 -1.171 . . . . 0.0 110.381 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.25 -45.91 91.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 110.152 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.4 HG21 HD12 ' A' ' 11' ' ' ILE . 91.4 mt -60.22 -51.05 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.935 -1.103 . . . . 0.0 109.188 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.01 -41.48 92.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.847 . . . . 0.0 109.431 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.94 -41.51 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 109.432 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -63.72 -58.62 6.31 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 111.123 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -60.17 -40.24 89.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.998 -1.064 . . . . 0.0 111.774 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.13 -41.12 74.34 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.385 -1.447 . . . . 0.0 109.829 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.543 ' HH ' ' N ' ' A' ' 35' ' ' LEU . 48.7 t80 -74.64 -41.33 60.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.805 . . . . 0.0 109.602 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -70.05 -21.37 63.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.473 -0.767 . . . . 0.0 109.506 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 22.72 15.77 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 75.5 ttt-85 -71.21 -39.99 71.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.264 -1.139 . . . . 0.0 109.438 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.8 mm-40 -108.05 160.01 16.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.537 -0.727 . . . . 0.0 109.644 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.76 -16.59 0.13 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.2 m-20 -85.98 107.43 17.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.006 -1.291 . . . . 0.0 109.41 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 88.7 tttt -100.22 125.92 46.45 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.391 -0.818 . . . . 0.0 110.408 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 4.4 t-80 77.86 41.58 0.13 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.487 0.661 . . . . 0.0 109.849 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -160.96 120.15 2.59 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 3.5 mm? -97.64 113.43 25.17 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.155 -0.966 . . . . 0.0 110.061 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 32' ' ' LEU . 58.9 tttp -87.5 160.37 18.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.644 -0.66 . . . . 0.0 109.283 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -55.63 -49.96 71.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 109.641 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 t -61.02 -39.99 91.86 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.96 -1.088 . . . . 0.0 108.253 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -69.89 -31.47 69.29 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 28' ' ' LYS . 59.9 tp -69.98 -40.41 75.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.573 -0.705 . . . . 0.0 109.104 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -63.54 -39.81 95.38 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 88.2 tt0 -60.35 -44.97 95.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.109 -0.995 . . . . 0.0 110.442 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.543 ' N ' ' HH ' ' A' ' 17' ' ' TYR . 6.5 tt -60.09 -49.66 76.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.336 -0.852 . . . . 0.0 110.778 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 40' ' ' LEU . 91.2 mt -60.42 -49.82 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.981 -1.074 . . . . 0.0 109.894 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.21 -40.71 94.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.42 -0.8 . . . . 0.0 111.227 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -85.16 -57.35 3.12 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.821 -1.174 . . . . 0.0 112.023 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -80.11 -70.2 0.54 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.834 -1.166 . . . . 0.0 111.564 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 36' ' ' ILE . 79.9 mt -91.37 86.08 5.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.866 -1.146 . . . . 0.0 110.622 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -136.35 -21.03 1.38 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.675 -0.641 . . . . 0.0 109.364 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.01 -14.72 62.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.235 -0.916 . . . . 0.0 110.305 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -104.19 -18.55 14.45 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.098 -1.001 . . . . 0.0 109.303 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.68 149.88 33.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -159.9 26.55 0.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.69 -1.72 58.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.191 -0.943 . . . . 0.0 110.23 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 47' ' ' ILE . 90.8 mt -94.53 119.4 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -137.9 -28.15 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.529 -0.732 . . . . 0.0 109.286 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -101.44 139.4 37.16 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.37 -0.831 . . . . 0.0 109.185 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.89 -40.13 87.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.93 -1.107 . . . . 0.0 109.605 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -50.28 -32.56 17.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.482 -0.761 . . . . 0.0 108.973 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.35 -37.17 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.899 . . . . 0.0 108.986 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.21 -41.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.484 -0.76 . . . . 0.0 109.087 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.19 -45.43 93.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.457 -0.777 . . . . 0.0 110.72 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.72 -44.94 95.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.1 t -69.25 -40.33 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.507 -0.746 . . . . 0.0 109.336 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.5 ttt -63.16 -41.86 99.33 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.48 -0.763 . . . . 0.0 110.025 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.29 -46.17 90.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 109.186 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -67.95 -39.9 83.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.408 -0.808 . . . . 0.0 108.87 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.81 -45.87 91.98 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.555 -0.716 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -68.29 104.59 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.59 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 tp10 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -92.26 -9.62 41.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.087 -1.008 . . . . 0.0 110.866 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.72 30.92 75.01 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -70.98 -3.41 19.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.138 -1.213 . . . . 0.0 110.521 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.08 71.96 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 120.852 -1.155 . . . . 0.0 110.913 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -140.88 160.46 40.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.315 . . . . 0.0 108.168 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.7 m -104.75 111.58 24.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.923 -1.111 . . . . 0.0 109.747 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.01 -176.97 1.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.978 0.894 . . . . 0.0 110.602 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.63 -49.95 75.47 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.628 0.728 . . . . 0.0 109.85 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -58.85 -52.31 66.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 0.0 109.827 -177.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -60.04 -43.2 95.49 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.706 -1.246 . . . . 0.0 108.129 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -50.08 -39.81 43.62 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.7 mmm -68.1 -28.36 67.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.382 -0.823 . . . . 0.0 109.164 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.77 -56.22 14.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.108 -0.995 . . . . 0.0 108.624 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -51.08 -40.09 57.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.33 -45.12 96.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 81' ' ' THR . 60.1 p -63.56 -44.35 94.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.269 -0.894 . . . . 0.0 109.379 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 83' ' ' ALA . 60.2 ttm -49.41 -42.51 42.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.937 . . . . 0.0 108.988 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.74 -31.14 51.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 78' ' ' SER . 35.8 m -78.31 -47.77 17.08 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -70.96 -14.75 62.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.443 -0.786 . . . . 0.0 109.377 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.41 -40.6 97.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.337 -0.852 . . . . 0.0 109.221 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.4 m -78.68 81.23 5.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.263 -0.898 . . . . 0.0 109.004 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.44 -39.94 89.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.886 . . . . 0.0 109.475 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 58.9 mp0 -65.06 140.1 58.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.213 -0.929 . . . . 0.0 109.903 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -64.34 130.36 43.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.179 -0.951 . . . . 0.0 109.461 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.455 -0.778 . . . . 0.0 109.641 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 40.95 -129.98 0.43 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.7 -0.625 . . . . 0.0 110.602 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -144.81 152.17 39.91 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.967 -1.083 . . . . 0.0 109.09 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--N 1.3 -1.552 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.298 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.71 -35.86 75.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.135 -0.978 . . . . 0.0 110.363 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 2.9 mm? -67.44 -32.85 73.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.588 -1.32 . . . . 0.0 109.796 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.46 -44.58 95.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 109.562 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -60.22 -39.44 86.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.733 . . . . 0.0 110.197 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.52 77.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.26 -0.9 . . . . 0.0 109.822 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.68 -44.74 77.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 109.978 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.53 -40.3 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.11 -0.994 . . . . 0.0 110.099 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.17 95.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 110.248 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.27 -46.2 90.65 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.1 -51.19 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.993 -1.067 . . . . 0.0 109.527 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.05 -40.88 90.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.333 -0.854 . . . . 0.0 109.427 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -41.58 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.204 -0.935 . . . . 0.0 109.507 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -64.19 -58.41 6.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.321 -0.862 . . . . 0.0 110.903 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -59.93 -40.13 87.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.0 -1.062 . . . . 0.0 111.76 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -70.12 -41.04 74.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.367 -1.458 . . . . 0.0 110.184 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.475 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 50.0 t80 -74.76 -41.85 59.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.692 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -70.01 -20.89 63.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.439 -0.788 . . . . 0.0 109.432 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.6 22.06 18.94 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 76.2 ttt-85 -70.96 -40.17 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -1.156 . . . . 0.0 109.482 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -107.96 159.92 16.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.477 -0.764 . . . . 0.0 109.564 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.65 -15.59 0.16 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' B' ' 21' ' ' GLU . 99.2 m-20 -86.05 107.26 17.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.079 -1.248 . . . . 0.0 109.209 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 88.2 tttt -100.08 125.72 46.2 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.239 -0.913 . . . . 0.0 110.566 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 4.7 t-80 77.75 41.69 0.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.539 0.685 . . . . 0.0 109.882 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -160.89 120.22 2.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.4 mm? -97.31 113.82 25.51 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.101 -0.999 . . . . 0.0 110.051 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' B' ' 32' ' ' LEU . 58.5 tttp -87.8 160.36 18.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.643 -0.661 . . . . 0.0 109.453 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -55.83 -49.83 72.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 109.53 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -61.09 -39.69 90.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.945 -1.097 . . . . 0.0 108.343 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -70.02 -31.72 69.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.599 0.714 . . . . 0.0 109.077 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 28' ' ' LYS . 59.9 tp -70.08 -40.17 75.15 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -63.57 -40.23 96.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.07 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 87.7 tt0 -59.97 -45.37 92.9 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.249 -0.907 . . . . 0.0 110.386 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.6 tt -59.96 -49.06 79.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.269 -0.894 . . . . 0.0 110.737 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' B' ' 40' ' ' LEU . 94.1 mt -61.05 -50.09 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.799 -1.188 . . . . 0.0 109.829 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.21 -40.12 92.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 111.265 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -85.61 -57.27 3.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.752 -1.218 . . . . 0.0 112.05 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.9 -70.27 0.53 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 111.594 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' B' ' 36' ' ' ILE . 82.0 mt -91.53 86.26 5.98 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.894 -1.129 . . . . 0.0 110.615 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.6 p -136.45 -21.47 1.34 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.88 -14.69 62.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.286 -0.884 . . . . 0.0 110.475 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.13 -17.4 14.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.123 -0.986 . . . . 0.0 109.308 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 pp -148.75 149.76 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.164 -0.96 . . . . 0.0 109.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -159.9 27.02 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -89.94 -1.86 58.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.296 -0.878 . . . . 0.0 110.285 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.423 HG22 HD12 ' B' ' 47' ' ' ILE . 88.7 mt -94.48 119.83 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.036 . . . . 0.0 109.671 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -138.31 -27.64 0.87 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.483 -0.761 . . . . 0.0 109.291 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -101.67 139.15 37.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.409 -0.807 . . . . 0.0 109.063 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.02 -40.19 88.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.884 -1.135 . . . . 0.0 109.533 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -49.71 -32.53 13.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.489 -0.757 . . . . 0.0 109.026 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.29 -37.41 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 108.777 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.1 -41.34 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.413 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.44 -45.76 92.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.539 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -45.71 93.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.965 -1.084 . . . . 0.0 108.948 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.63 -40.44 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.671 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.2 ttt -63.27 -41.76 99.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 110.04 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 109.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.17 -39.82 82.44 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.25 -47.11 87.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.589 -0.695 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -67.55 104.79 1.66 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.949 . . . . 0.0 110.812 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -60.21 -43.85 95.63 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -91.8 -10.04 41.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.18 -0.95 . . . . 0.0 110.925 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 30.87 74.73 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 40.9 p-10 -70.54 -3.46 18.15 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.183 -1.186 . . . . 0.0 110.386 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.59 -10.18 70.73 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.967 -1.083 . . . . 0.0 111.008 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -140.31 160.65 39.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.934 -1.333 . . . . 0.0 108.199 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -104.77 111.71 24.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.738 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -71.2 -177.16 1.64 Allowed 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.985 0.897 . . . . 0.0 110.646 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.62 -49.87 75.79 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.465 0.65 . . . . 0.0 109.92 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.9 -52.34 66.15 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.813 -177.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -59.94 -43.14 95.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.635 -1.291 . . . . 0.0 108.153 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -50.23 -39.37 44.31 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -68.6 -28.5 66.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 109.223 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -64.69 -56.0 16.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.122 -0.986 . . . . 0.0 108.675 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -51.38 -40.01 58.33 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.42 -45.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 81' ' ' THR . 79.7 p -63.74 -43.81 95.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.405 ' O ' ' N ' ' B' ' 83' ' ' ALA . 60.3 ttm -49.4 -42.08 41.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 108.954 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.05 -31.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 78' ' ' SER . 30.8 m -78.51 -47.12 17.99 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.4 p -71.33 -14.77 62.31 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.238 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -62.84 -40.47 97.54 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.1 m -78.3 82.08 4.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.338 -0.851 . . . . 0.0 108.881 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -67.46 -40.13 85.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.217 -0.927 . . . . 0.0 109.219 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' B' ' 86' ' ' GLU . 58.1 mp0 -64.48 140.09 58.83 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.407 -0.808 . . . . 0.0 109.73 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -64.51 130.29 43.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 0.0 109.393 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.24 -39.89 88.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.405 -0.81 . . . . 0.0 109.624 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 41.11 -129.69 0.45 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.684 -0.635 . . . . 0.0 110.638 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -145.42 151.78 38.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.985 -1.072 . . . . 0.0 109.119 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 C--N 1.301 -1.538 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.464 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -38.25 81.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.382 -0.824 . . . . 0.0 110.593 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.33 -33.39 74.21 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.011 -1.056 . . . . 0.0 109.49 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.28 -40.46 93.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.95 -1.094 . . . . 0.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -39.9 87.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.6 94.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.292 -0.88 . . . . 0.0 109.177 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.5 ttm -62.73 -51.22 68.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.238 -0.914 . . . . 0.0 109.901 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.1 -40.7 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.576 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.91 93.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.906 -1.121 . . . . 0.0 109.471 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.01 -45.9 91.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.314 -0.867 . . . . 0.0 110.496 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.98 -47.81 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.751 -1.218 . . . . 0.0 108.872 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.27 -40.03 80.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.432 -0.792 . . . . 0.0 109.07 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.36 -41.27 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 0.0 109.88 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.05 -54.98 39.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.793 -1.192 . . . . 0.0 110.383 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.02 -40.55 89.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 112.497 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.86 -39.99 79.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.298 -1.501 . . . . 0.0 110.495 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.8 -41.33 62.51 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 110.072 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -80.06 -21.02 43.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.005 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.61 15.55 60.07 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -87.37 -54.91 4.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.006 -1.291 . . . . 0.0 109.225 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 65.3 mm-40 -150.21 160.09 43.94 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 -158.36 44.43 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.55 137.98 58.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.489 -1.006 . . . . 0.0 109.616 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.68 -40.01 80.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 111.01 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.71 -21.11 15.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.214 . . . . 0.0 111.645 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -107.41 149.68 27.62 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.1 -1.0 . . . . 0.0 110.625 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 2.5 mm? -97.11 125.14 41.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.544 -0.723 . . . . 0.0 110.321 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -84.53 160.18 20.55 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' SER . 1.3 ptpm? -53.36 -42.17 66.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.647 -1.283 . . . . 0.0 109.845 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 91.2 p -64.04 -38.05 89.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 108.982 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 42.4 mt-10 -68.69 -39.74 80.38 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.886 0.85 . . . . 0.0 108.911 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.06 -44.84 79.11 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.33 -40.18 93.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 0.0 109.449 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 86.8 tt0 -60.09 -43.91 95.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.366 -0.834 . . . . 0.0 109.791 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.1 tp -59.94 -43.77 94.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.409 -0.807 . . . . 0.0 109.724 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' LEU . 84.2 mt -60.04 -49.08 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.088 -1.007 . . . . 0.0 110.229 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -60.35 -40.34 90.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.857 . . . . 0.0 111.151 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.682 HD21 ' N ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -91.43 -27.44 18.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.026 -1.046 . . . . 0.0 111.264 -178.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.682 ' N ' HD21 ' A' ' 38' ' ' ASN . 6.1 tp10 -89.99 -76.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.797 -1.189 . . . . 0.0 110.594 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ILE . 9.7 mp -81.59 130.26 34.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 110.293 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 8.2 p -129.75 -58.05 1.1 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.553 -0.717 . . . . 0.0 109.464 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.646 ' H ' ' ND1' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -85.5 -1.96 57.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.936 -1.103 . . . . 0.0 110.438 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -98.38 -1.62 41.12 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.126 -0.984 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -143.35 150.06 38.62 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.272 -0.892 . . . . 0.0 108.815 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.42 -80.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.779 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -171.41 135.89 0.97 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.083 -1.011 . . . . 0.0 109.78 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mm -83.01 108.88 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.385 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -89.61 -74.71 0.47 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.225 -0.922 . . . . 0.0 110.17 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.67 144.24 25.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -68.68 -28.8 67.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.318 -0.864 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.31 -30.09 49.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.186 -0.946 . . . . 0.0 108.731 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.92 -35.2 63.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.16 -41.05 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.568 -0.708 . . . . 0.0 109.173 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 109.224 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.07 -46.67 88.78 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.94 -40.58 89.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.474 -0.766 . . . . 0.0 109.504 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.5 mtp -66.32 -41.93 88.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 110.218 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.154 -0.966 . . . . 0.0 109.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -69.38 -40.01 77.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.423 -0.798 . . . . 0.0 109.353 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.6 -40.81 72.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.687 . . . . 0.0 110.226 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 62.5 t0 -67.32 105.58 1.81 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.296 -0.877 . . . . 0.0 110.277 -178.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.07 -40.06 78.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.457 -0.777 . . . . 0.0 110.146 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 7.4 p-10 -90.1 -10.99 42.63 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.008 -1.057 . . . . 0.0 110.772 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.27 29.54 70.18 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.67 -1.252 . . . . 0.0 110.189 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 p-10 -76.28 -1.7 27.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.041 -1.27 . . . . 0.0 110.012 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.34 3.46 89.86 Favored Glycine 0 N--CA 1.494 2.539 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.843 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -138.62 159.45 42.08 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.145 -1.209 . . . . 0.0 108.136 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -97.97 104.86 16.93 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.866 -1.146 . . . . 0.0 108.759 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.06 169.86 7.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.928 0.87 . . . . 0.0 111.217 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.98 -47.26 86.55 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.457 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 26.4 mp0 -59.1 -55.23 37.67 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.54 -0.864 . . . . 0.0 108.753 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.7 mt-10 -59.99 -44.38 94.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.963 -1.086 . . . . 0.0 108.259 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.35 -38.28 18.84 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.55 -29.34 67.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 108.921 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.93 -55.23 20.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.66 -40.05 62.48 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.72 -45.06 98.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.477 ' HG ' ' N ' ' A' ' 79' ' ' MET . 87.2 p -66.59 -44.57 81.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.3 -0.875 . . . . 0.0 110.121 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 83' ' ' ALA . 67.9 mtt -50.28 -42.99 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.076 -1.015 . . . . 0.0 108.976 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.15 -30.46 47.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 78' ' ' SER . 34.0 m -83.15 -49.21 9.71 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 m -72.09 -19.96 61.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.859 -0.526 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -80.03 -69.91 0.56 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.977 -1.077 . . . . 0.0 109.56 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.6 m -60.16 139.9 57.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.323 -0.861 . . . . 0.0 109.002 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' ND1' ' H ' ' A' ' 86' ' ' GLU . 51.0 t-80 -54.85 175.73 0.05 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.057 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' H ' ' ND1' ' A' ' 85' ' ' HIS . 99.2 mt-10 -63.97 124.45 21.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.096 -1.003 . . . . 0.0 108.773 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -93.73 100.48 12.69 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.084 -1.01 . . . . 0.0 109.136 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -70.07 161.88 29.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.247 -0.908 . . . . 0.0 109.662 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 1.7 pm0 -59.89 134.08 56.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.287 -0.883 . . . . 0.0 109.807 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -148.19 149.98 32.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 0.0 109.388 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.143 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.406 0.622 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.01 -37.85 80.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 110.465 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.52 -33.46 74.16 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.026 -1.047 . . . . 0.0 109.45 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.18 -40.35 94.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.155 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.02 -39.95 87.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.705 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.11 93.78 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.255 -0.903 . . . . 0.0 109.073 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.1 ttm -62.53 -51.2 68.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.13 -0.982 . . . . 0.0 110.04 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.02 -40.54 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.362 -0.836 . . . . 0.0 110.485 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.911 -1.118 . . . . 0.0 109.472 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -45.86 91.37 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.857 . . . . 0.0 110.45 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.03 -47.7 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.673 -1.267 . . . . 0.0 108.938 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.42 ' OD2' ' OE1' ' A' ' 89' ' ' GLU . 62.8 t0 -58.22 -40.1 80.8 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.049 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.58 -41.03 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 0.0 109.846 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.03 -55.09 38.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.685 -1.259 . . . . 0.0 110.317 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.05 -40.51 89.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 112.488 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.71 -40.05 80.16 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.306 -1.496 . . . . 0.0 110.629 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.99 -41.34 62.08 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.109 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -80.05 -21.05 43.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.93 -1.106 . . . . 0.0 111.01 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.54 15.63 59.76 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -87.5 -54.42 4.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.965 -1.315 . . . . 0.0 109.254 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 65.0 mm-40 -150.53 159.94 44.14 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.54 -158.54 45.4 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.96 138.22 58.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -1.054 . . . . 0.0 109.637 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -69.0 -39.93 79.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.348 -0.845 . . . . 0.0 110.871 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -100.76 -20.78 15.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.802 -1.186 . . . . 0.0 111.708 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.73 149.54 28.04 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.03 -1.044 . . . . 0.0 110.647 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 2.8 mm? -96.94 125.43 41.37 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.566 -0.709 . . . . 0.0 110.18 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.09 160.12 20.04 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 30' ' ' SER . 1.3 ptpm? -53.29 -42.38 66.53 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.634 -1.291 . . . . 0.0 109.847 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 96.0 p -63.8 -38.11 89.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.111 -0.993 . . . . 0.0 108.931 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' B' ' 21' ' ' GLU . 43.4 mt-10 -68.74 -39.7 80.19 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.912 0.863 . . . . 0.0 108.963 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tt -67.2 -44.2 80.18 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.349 0.595 . . . . 0.0 109.405 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.85 -40.25 94.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.312 -0.867 . . . . 0.0 109.408 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 87.0 tt0 -60.08 -43.76 95.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.455 -0.778 . . . . 0.0 109.796 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 32.4 tp -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.288 -0.883 . . . . 0.0 109.638 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.402 HD12 HG21 ' B' ' 36' ' ' ILE . 85.8 mt -59.94 -48.75 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 110.292 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.38 -40.58 91.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.362 -0.836 . . . . 0.0 111.202 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.664 HD21 ' N ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -91.35 -27.5 18.33 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.054 -1.029 . . . . 0.0 111.234 -178.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.664 ' N ' HD21 ' B' ' 38' ' ' ASN . 6.1 tp10 -90.02 -76.8 0.41 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.836 -1.165 . . . . 0.0 110.572 -178.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.68 130.41 35.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.237 -0.915 . . . . 0.0 110.184 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 13.2 p -130.0 -57.76 1.09 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.52 -0.737 . . . . 0.0 109.43 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.664 ' H ' ' ND1' ' B' ' 42' ' ' HIS . 0.0 OUTLIER -85.09 -2.24 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.912 -1.117 . . . . 0.0 110.393 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -98.26 -1.59 41.55 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.007 -1.058 . . . . 0.0 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.45 150.0 38.38 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.254 -0.904 . . . . 0.0 108.886 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.17 -80.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 109.86 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -171.08 136.19 1.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 109.814 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.36 108.78 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.86 -74.97 0.46 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 110.007 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.48 144.13 25.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.029 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.76 -28.53 66.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.267 -0.896 . . . . 0.0 109.189 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.48 -29.97 51.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.08 -1.012 . . . . 0.0 108.822 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.98 -35.05 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.13 -41.16 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.568 -0.708 . . . . 0.0 109.286 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.335 -0.853 . . . . 0.0 109.143 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.0 -46.8 88.28 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.96 -40.34 88.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.535 -0.728 . . . . 0.0 109.553 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mtp -66.46 -42.04 88.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.325 -0.859 . . . . 0.0 110.113 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.75 -46.25 91.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 109.222 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -69.28 -40.01 78.03 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.34 -42.06 72.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.583 -0.698 . . . . 0.0 110.183 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 62.8 t0 -66.79 105.79 1.68 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.155 -0.966 . . . . 0.0 110.357 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.99 -39.95 79.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.286 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 7.6 p-10 -90.11 -10.92 42.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.093 -1.004 . . . . 0.0 110.796 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 70.19 29.32 70.5 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 119.66 -1.257 . . . . 0.0 110.251 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.5 p-10 -76.01 -2.24 29.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.0 -1.294 . . . . 0.0 109.935 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.0 4.75 89.7 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.278 -0.963 . . . . 0.0 110.823 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -139.07 159.29 42.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.135 -1.215 . . . . 0.0 107.929 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.2 t -97.84 104.87 16.93 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.825 -1.172 . . . . 0.0 108.684 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.37 170.32 7.53 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 122.007 0.908 . . . . 0.0 111.206 -178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.96 -47.17 86.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.444 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 26.5 mp0 -59.12 -55.3 36.81 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.815 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.1 mt-10 -60.0 -44.48 94.53 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -48.56 -37.89 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.9 tpt -68.98 -28.81 66.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.335 -0.853 . . . . 0.0 109.078 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.5 -54.83 22.73 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -52.96 -39.91 63.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.61 -45.1 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.534 ' HG ' ' H ' ' B' ' 79' ' ' MET . 84.2 p -66.4 -44.76 82.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.324 -0.86 . . . . 0.0 110.048 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.534 ' H ' ' HG ' ' B' ' 78' ' ' SER . 68.4 mtt -50.44 -42.99 54.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.149 -0.969 . . . . 0.0 108.989 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.18 -30.22 47.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' B' ' 78' ' ' SER . 36.3 m -83.15 -49.39 9.53 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -71.98 -20.02 61.79 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.781 -0.574 . . . . 0.0 110.821 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -79.93 -70.09 0.54 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.505 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.2 m -60.01 139.75 57.23 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 109.006 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.48 ' ND1' ' H ' ' B' ' 86' ' ' GLU . 51.7 t-80 -55.09 175.58 0.06 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.921 . . . . 0.0 109.001 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.48 ' H ' ' ND1' ' B' ' 85' ' ' HIS . 99.9 mt-10 -63.78 124.83 22.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.043 -1.036 . . . . 0.0 108.748 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -94.11 100.38 12.49 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.1 -1.0 . . . . 0.0 109.177 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.0 161.56 29.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 109.736 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' B' ' 89' ' ' GLU . 1.7 pm0 -59.8 133.96 56.58 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.382 -0.823 . . . . 0.0 109.746 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -148.1 149.95 32.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.336 -0.853 . . . . 0.0 109.361 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.264 179.818 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.304 0.573 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.86 -37.63 79.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.41 -0.806 . . . . 0.0 110.412 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.98 -32.43 70.64 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.818 -1.176 . . . . 0.0 109.581 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -61.13 -41.94 97.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.01 -38.94 84.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.568 -0.708 . . . . 0.0 110.051 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.76 95.21 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.97 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.518 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 36.7 tpp -61.37 -50.02 74.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.498 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -40.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.505 -0.747 . . . . 0.0 110.265 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.4 92.32 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.873 -1.142 . . . . 0.0 109.173 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.87 -48.22 82.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 110.075 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.473 ' CG2' ' OE1' ' B' ' 86' ' ' GLU . 92.3 mt -59.94 -52.23 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.881 -1.137 . . . . 0.0 109.914 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.04 -39.9 87.52 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.13 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.01 -41.55 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.589 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.63 -56.71 15.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.971 -1.08 . . . . 0.0 110.343 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -42.94 95.27 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.563 -0.71 . . . . 0.0 112.16 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.04 -41.1 74.67 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.29 -1.506 . . . . 0.0 110.149 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.3 t80 -71.77 -48.69 44.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.52 -0.737 . . . . 0.0 109.656 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.6 p -70.22 -20.15 63.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.478 -0.763 . . . . 0.0 110.225 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.33 19.84 33.46 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -86.23 -51.38 6.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.846 -1.385 . . . . 0.0 108.979 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -140.81 148.17 40.17 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.27 179.76 20.6 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -62.01 -59.88 4.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.939 -1.33 . . . . 0.0 109.484 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -171.86 -64.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.103 -0.998 . . . . 0.0 111.103 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.41 ' HD1' ' C ' ' A' ' 25' ' ' HIS . 3.7 p80 -110.9 17.05 20.9 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.084 -1.01 . . . . 0.0 111.071 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -107.9 129.31 55.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.17 -0.956 . . . . 0.0 109.107 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.0 mt -102.42 127.35 49.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.379 -0.826 . . . . 0.0 109.87 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -95.35 167.1 11.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.471 -0.768 . . . . 0.0 109.091 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -56.72 -41.04 76.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.891 -1.131 . . . . 0.0 110.149 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.2 p -63.94 -35.05 79.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.909 -1.12 . . . . 0.0 108.812 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.97 -31.76 69.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.614 -0.679 . . . . 0.0 109.253 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.85 -40.49 75.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -0.8 . . . . 0.0 109.722 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.59 -40.13 93.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.266 -0.896 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.01 -46.21 90.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 109.932 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.553 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 62.9 tp -60.19 -46.33 90.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.572 -0.705 . . . . 0.0 109.846 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -61.16 -42.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.108 -0.995 . . . . 0.0 109.528 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -69.9 -39.93 75.91 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.889 -1.132 . . . . 0.0 111.015 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -76.1 -58.02 3.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.89 -1.131 . . . . 0.0 112.61 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -84.4 -95.98 0.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.854 -1.153 . . . . 0.0 112.927 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 36' ' ' ILE . 80.5 mt -61.42 129.37 40.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.296 -0.877 . . . . 0.0 110.907 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -147.7 -49.8 0.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.154 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.83 -19.96 62.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.48 -0.763 . . . . 0.0 109.999 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -99.3 1.13 44.28 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.21 -0.931 . . . . 0.0 110.184 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.3 mt -133.01 151.43 52.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.302 -0.874 . . . . 0.0 109.407 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -77.08 144.7 38.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -63.9 139.52 58.78 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.977 -1.077 . . . . 0.0 109.146 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -97.94 121.07 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.526 -0.734 . . . . 0.0 109.569 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -103.26 -28.24 12.0 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.352 -0.843 . . . . 0.0 110.151 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -121.45 134.14 55.08 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.268 -0.895 . . . . 0.0 110.394 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' VAL . 9.7 mp0 -60.6 -39.26 87.46 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 109.866 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -45.93 -32.22 2.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.485 -0.759 . . . . 0.0 109.075 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.13 -32.9 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.353 -0.842 . . . . 0.0 108.785 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' GLN . 94.9 t -68.49 -41.04 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.541 -0.725 . . . . 0.0 109.218 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.74 . . . . 0.0 109.718 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.86 -42.17 98.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 108.788 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.9 -41.75 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.733 . . . . 0.0 110.308 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.5 mmm -62.66 -41.82 99.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.201 -0.937 . . . . 0.0 110.124 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.14 -43.96 95.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.192 -0.943 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.11 75.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.47 -0.769 . . . . 0.0 110.565 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 tp -70.6 -43.46 69.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.079 -1.013 . . . . 0.0 111.713 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -67.43 103.98 1.43 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.925 -1.11 . . . . 0.0 110.538 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.64 -40.06 95.92 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.461 -0.774 . . . . 0.0 110.157 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.93 59.42 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.918 -1.134 . . . . 0.0 110.611 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -79.92 -2.99 46.2 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.98 -1.306 . . . . 0.0 111.008 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 5.54 85.27 Favored Glycine 0 N--CA 1.497 2.735 0 O-C-N 120.761 -1.212 . . . . 0.0 111.347 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -139.87 161.05 38.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.923 -1.339 . . . . 0.0 107.981 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.23 108.25 19.2 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -75.54 -178.5 4.14 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.004 0.907 . . . . 0.0 110.81 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.71 -48.9 79.71 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.387 0.613 . . . . 0.0 110.159 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? -60.05 -56.54 20.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 109.988 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 75' ' ' ALA . 99.3 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.657 -1.277 . . . . 0.0 108.301 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -45.96 -40.78 10.8 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.481 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 75.9 mtp -70.43 -28.87 65.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' SER . . . -63.21 -59.94 4.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.838 -1.163 . . . . 0.0 109.056 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -49.62 -39.92 37.44 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.15 -40.07 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' ALA . 22.9 t -72.75 -50.18 26.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.455 -0.778 . . . . 0.0 110.86 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.6 ttp -53.98 -40.36 66.82 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.706 -1.246 . . . . 0.0 109.538 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -70.06 -27.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.302 -0.874 . . . . 0.0 108.66 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.491 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 38.8 m -68.84 -44.18 73.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.53 -0.731 . . . . 0.0 109.143 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.6 m -68.41 -54.14 19.1 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.89 -41.5 11.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 109.567 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.2 t -73.34 110.98 8.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.932 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.477 ' H ' ' ND1' ' A' ' 85' ' ' HIS . 37.9 p-80 -81.36 168.46 18.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 110.028 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' OE1' ' CG2' ' B' ' 11' ' ' ILE . 22.4 tp10 -57.91 133.18 55.23 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.624 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 50.8 p90 -100.9 -1.41 34.66 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.461 -0.774 . . . . 0.0 109.928 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.624 ' CE2' ' CZ ' ' A' ' 87' ' ' PHE . 49.0 m-85 -87.47 119.86 28.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.1 -1.0 . . . . 0.0 109.273 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 62.19 -5.07 0.18 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.677 -0.639 . . . . 0.0 109.755 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.56 ' H ' ' C ' ' A' ' 88' ' ' PHE . 59.7 m80 48.54 23.18 0.57 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.953 -1.092 . . . . 0.0 109.692 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--N 1.299 -1.62 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.044 179.249 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.382 0.61 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -37.49 79.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.415 -0.803 . . . . 0.0 110.45 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -70.05 -32.51 70.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.824 -1.173 . . . . 0.0 109.407 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.93 . . . . 0.0 109.421 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.2 -38.71 84.16 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.643 -0.661 . . . . 0.0 109.836 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.35 94.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 108.91 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.491 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 35.3 tpp -61.81 -49.99 74.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.938 . . . . 0.0 109.49 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.03 -40.04 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 110.139 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.53 91.8 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.855 -1.153 . . . . 0.0 109.275 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.96 -48.49 81.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.312 -0.868 . . . . 0.0 110.029 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.454 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 84.7 mt -60.1 -51.87 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.85 -1.156 . . . . 0.0 109.87 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.99 -40.06 87.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 109.134 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.01 -41.52 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.808 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.88 -56.7 14.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.026 -1.046 . . . . 0.0 110.349 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -60.03 -43.01 95.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.402 -0.811 . . . . 0.0 112.185 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -69.94 -40.93 75.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.275 -1.516 . . . . 0.0 110.314 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.549 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 58.4 t80 -72.16 -48.46 43.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.675 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.25 -20.29 63.08 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.763 . . . . 0.0 110.113 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.35 20.13 32.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -85.95 -51.39 6.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.859 -1.377 . . . . 0.0 109.124 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -141.05 148.23 39.89 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.56 179.48 20.51 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.0 -60.04 4.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.979 -1.307 . . . . 0.0 109.427 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -171.5 -64.91 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.025 -1.047 . . . . 0.0 111.202 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.418 ' HD1' ' C ' ' B' ' 25' ' ' HIS . 3.4 p80 -110.77 16.94 21.07 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.085 -1.009 . . . . 0.0 111.128 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -107.88 129.13 55.1 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.198 -0.939 . . . . 0.0 109.269 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -102.4 127.01 49.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.345 -0.847 . . . . 0.0 109.942 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -95.5 166.93 11.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.457 -0.777 . . . . 0.0 109.24 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.405 ' NZ ' ' OD1' ' B' ' 54' ' ' ASP . 32.0 ttpt -56.59 -41.07 76.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.002 -1.061 . . . . 0.0 110.178 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -63.79 -35.36 80.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.893 -1.129 . . . . 0.0 108.83 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.06 -31.52 69.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.86 -40.75 75.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 109.646 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -61.49 -40.28 93.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.238 -0.914 . . . . 0.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.84 -46.32 89.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.254 -0.904 . . . . 0.0 109.981 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.549 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.7 tp -60.47 -45.67 92.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.461 -0.775 . . . . 0.0 110.047 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -61.55 -42.47 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -69.74 -40.05 76.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.016 -1.053 . . . . 0.0 110.938 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -76.26 -57.9 3.6 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.954 -1.092 . . . . 0.0 112.602 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -84.43 -96.18 0.06 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.805 -1.184 . . . . 0.0 112.751 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' B' ' 36' ' ' ILE . 76.8 mt -61.33 129.28 40.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.233 -0.917 . . . . 0.0 110.958 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -147.43 -49.75 0.18 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 0.0 109.101 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.74 -20.02 62.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.444 -0.785 . . . . 0.0 109.971 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -99.15 0.77 44.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.174 -0.954 . . . . 0.0 110.124 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 78.7 mt -132.35 151.16 51.97 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.353 -0.842 . . . . 0.0 109.476 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -77.01 144.59 38.57 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.86 139.7 58.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 109.173 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 94.0 mt -98.19 121.22 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.433 -0.792 . . . . 0.0 109.57 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -103.55 -28.35 11.8 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.374 -0.829 . . . . 0.0 110.213 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -120.88 134.43 55.29 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.267 -0.895 . . . . 0.0 110.456 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 9.7 mp0 -61.13 -38.76 87.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.443 -0.786 . . . . 0.0 109.855 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -46.1 -32.19 2.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.549 -0.72 . . . . 0.0 109.182 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.07 -32.89 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 108.854 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 94.8 t -68.29 -41.19 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.222 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.405 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 96.4 m-20 -60.14 -40.15 88.81 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.456 -0.778 . . . . 0.0 109.734 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.8 -42.38 98.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.63 -41.86 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.605 -0.684 . . . . 0.0 110.409 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 90.5 mmm -62.73 -42.02 99.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -0.9 . . . . 0.0 110.126 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.08 -43.95 95.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.304 -0.872 . . . . 0.0 108.657 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -69.99 -40.14 75.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.78 . . . . 0.0 110.722 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.7 tp -70.17 -44.7 68.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.177 -0.952 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -66.36 103.68 1.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 110.729 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.12 -40.36 97.39 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.404 -0.81 . . . . 0.0 108.836 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.101 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.84 32.01 59.51 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.976 -1.107 . . . . 0.0 110.582 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -79.97 -2.93 46.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.968 -1.313 . . . . 0.0 111.02 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.57 5.29 85.91 Favored Glycine 0 N--CA 1.495 2.629 0 O-C-N 120.77 -1.206 . . . . 0.0 111.327 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -140.07 160.89 38.92 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.962 -1.316 . . . . 0.0 107.932 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 84.0 m -108.01 108.33 19.4 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.853 -1.154 . . . . 0.0 109.304 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -75.75 -178.48 4.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.908 0.861 . . . . 0.0 110.851 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.62 -48.86 79.92 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.416 0.627 . . . . 0.0 110.067 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -59.91 -56.66 19.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 110.076 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.72 -1.237 . . . . 0.0 108.281 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -45.83 -40.75 10.24 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.487 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 73.9 mtp -70.38 -29.28 65.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.325 -0.859 . . . . 0.0 109.589 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 78' ' ' SER . . . -63.15 -60.04 3.96 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.913 -1.117 . . . . 0.0 109.019 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -49.51 -40.05 36.39 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.02 -40.05 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.492 ' N ' ' O ' ' B' ' 75' ' ' ALA . 21.1 t -72.5 -50.32 26.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.483 -0.761 . . . . 0.0 110.92 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 50.6 ttp -54.34 -40.22 67.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.669 -1.269 . . . . 0.0 109.551 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.96 -27.83 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.518 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 33.4 m -68.89 -44.02 74.08 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.555 -0.716 . . . . 0.0 109.272 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -68.51 -53.96 19.86 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -41.54 11.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.52 -0.738 . . . . 0.0 109.687 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.1 t -73.4 111.03 8.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.336 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.468 ' ND1' ' H ' ' B' ' 85' ' ' HIS . 36.0 p-80 -81.27 168.42 18.48 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.339 -0.851 . . . . 0.0 109.997 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.473 ' OE1' ' CG2' ' A' ' 11' ' ' ILE . 22.5 tp10 -57.71 133.42 55.33 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.619 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 51.2 p90 -101.15 -1.83 32.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.432 -0.793 . . . . 0.0 109.707 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CE2' ' CZ ' ' B' ' 87' ' ' PHE . 50.9 m-85 -87.08 119.88 27.76 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.046 -1.033 . . . . 0.0 109.324 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 62.33 -5.04 0.19 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.617 -0.677 . . . . 0.0 109.704 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.53 ' H ' ' C ' ' B' ' 88' ' ' PHE . 59.9 m80 48.33 23.29 0.55 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.975 -1.078 . . . . 0.0 109.747 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 . . . . . 0 C--N 1.3 -1.584 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.072 179.373 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.525 0.678 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -34.74 77.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.415 -0.803 . . . . 0.0 110.968 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -70.09 -34.45 73.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.104 . . . . 0.0 109.316 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.71 -41.8 98.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.401 -0.812 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.39 -39.87 88.86 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.098 -1.001 . . . . 0.0 109.369 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.33 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.956 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.546 ' CG ' ' HG1' ' B' ' 81' ' ' THR . 47.9 ttm -59.89 -50.53 73.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.381 -0.824 . . . . 0.0 109.169 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.2 t -57.89 -37.72 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.512 -0.742 . . . . 0.0 109.288 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.74 93.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.711 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.19 -48.36 82.06 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.115 -0.991 . . . . 0.0 110.803 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.36 -50.25 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.669 -1.269 . . . . 0.0 109.319 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -59.94 -42.93 95.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.307 -0.871 . . . . 0.0 109.209 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.71 -39.92 76.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.558 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.93 -57.94 5.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.076 . . . . 0.0 110.456 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -59.93 -40.29 88.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.961 . . . . 0.0 111.436 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -69.6 -39.87 76.99 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.267 -1.521 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.481 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 41.4 t80 -75.78 -46.38 31.02 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.325 -0.859 . . . . 0.0 110.35 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -73.1 -21.47 60.75 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.026 -1.046 . . . . 0.0 110.446 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.58 23.34 13.05 Favored Glycine 0 N--CA 1.496 2.654 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.624 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 mtm105 -83.53 -41.75 17.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.922 -1.34 . . . . 0.0 109.803 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.1 tt0 -176.74 151.79 0.93 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 91.8 64.68 1.14 Allowed Glycine 0 N--CA 1.499 2.9 0 C-N-CA 119.744 -1.217 . . . . 0.0 111.659 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' GLY . 94.4 m-20 54.96 100.16 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.144 -1.209 . . . . 0.0 109.481 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 8.3 mtpm? -53.74 137.66 37.24 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 109.226 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 8.4 t60 76.42 42.53 0.17 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.447 0.641 . . . . 0.0 109.937 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -161.09 123.99 3.21 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 4.1 mm? -95.99 115.71 27.84 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.714 -1.241 . . . . 0.0 110.526 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.93 166.56 12.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.621 -0.674 . . . . 0.0 109.303 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.58 -40.0 68.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.23 -0.919 . . . . 0.0 110.376 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -68.14 -33.95 75.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.921 -1.112 . . . . 0.0 110.113 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 73.4 mt-10 -69.95 -30.23 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.62 -39.88 73.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.455 0.645 . . . . 0.0 109.909 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -63.97 -42.81 97.14 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.37 -45.4 72.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.159 -0.963 . . . . 0.0 109.574 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 41.7 tp -60.31 -49.98 75.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 109.385 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.43 -49.95 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.609 -0.682 . . . . 0.0 110.105 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.19 -40.8 97.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.534 -0.729 . . . . 0.0 110.539 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -85.3 -31.49 23.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.228 -0.92 . . . . 0.0 110.707 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' LEU . 38.6 tp10 -84.7 -76.45 0.31 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.303 -0.873 . . . . 0.0 111.198 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.59 129.85 39.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.004 -1.06 . . . . 0.0 109.596 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -117.54 -72.51 0.68 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.451 -0.78 . . . . 0.0 109.161 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.621 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 13.8 p80 -91.54 6.31 46.13 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.009 -1.057 . . . . 0.0 109.091 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.621 ' CZ ' ' CE1' ' A' ' 42' ' ' HIS . 66.2 m-85 -98.79 -3.12 36.32 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.84 137.26 37.96 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.98 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.941 -1.099 . . . . 0.0 109.325 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -160.31 119.94 2.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.855 -1.153 . . . . 0.0 109.113 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.6 mt -97.64 118.79 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.227 -0.921 . . . . 0.0 109.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.21 -23.55 12.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.681 -0.637 . . . . 0.0 109.574 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -108.67 136.55 48.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.353 -0.842 . . . . 0.0 110.507 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.16 -31.05 69.44 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 109.526 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -57.17 -30.55 64.6 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.513 -0.742 . . . . 0.0 109.085 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.3 t -68.6 -34.01 62.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.5 t -69.74 -41.76 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.15 89.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.58 -50.07 75.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 108.804 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.8 -40.97 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.694 -0.629 . . . . 0.0 109.426 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.445 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 1.4 tpt -59.97 -43.17 95.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -60.49 -40.18 90.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.112 -0.993 . . . . 0.0 108.608 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -66.1 -39.97 90.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.488 -0.757 . . . . 0.0 109.422 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.2 -40.29 74.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.252 -0.905 . . . . 0.0 109.667 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 56.1 t0 -70.15 89.43 0.64 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 110.717 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.96 -25.1 63.47 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.218 -0.926 . . . . 0.0 108.876 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.49 -10.54 34.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.408 -0.807 . . . . 0.0 110.984 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.51 18.51 71.86 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 88.7 m-20 -68.11 -9.71 48.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.453 -1.028 . . . . 0.0 110.107 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 86.21 -17.69 36.47 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -129.8 164.97 22.93 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.322 -1.105 . . . . 0.0 109.145 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.445 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 82.4 m -103.52 109.33 20.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.147 -0.971 . . . . 0.0 109.583 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.2 t70 -69.8 177.14 3.2 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.998 0.904 . . . . 0.0 111.122 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.532 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.7 t80 -60.25 -48.55 81.28 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.7 -54.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 75' ' ' ALA . 41.1 mt-10 -60.02 -46.71 88.61 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.116 -0.99 . . . . 0.0 108.353 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -45.23 -38.82 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.7 tpp -67.68 -27.8 67.15 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.343 -0.848 . . . . 0.0 109.059 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -59.97 -57.5 12.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.223 -0.923 . . . . 0.0 108.623 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -55.54 -39.6 70.78 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.18 -44.91 96.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.7 p -66.72 -42.84 85.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.02 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.51 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -56.22 -42.53 77.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.193 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.52 -31.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.125 -0.984 . . . . 0.0 108.663 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.6 m -80.56 -48.62 12.46 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.794 0.807 . . . . 0.0 108.956 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -72.3 -17.57 61.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.679 -0.638 . . . . 0.0 110.264 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -76.06 -41.78 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.004 -1.06 . . . . 0.0 109.725 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 92.4 m -86.44 134.73 33.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.259 -0.901 . . . . 0.0 110.591 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -81.32 170.17 16.36 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -48.15 113.65 0.78 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.581 -1.325 . . . . 0.0 109.707 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -105.28 -21.08 13.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.424 -0.798 . . . . 0.0 110.741 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 33.1 p90 -80.33 104.0 10.58 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.888 -1.133 . . . . 0.0 109.994 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -108.48 124.98 51.27 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.209 -0.932 . . . . 0.0 108.968 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.678 ' CD2' ' H ' ' A' ' 91' ' ' GLU . 71.4 t60 52.67 -136.49 1.36 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 108.683 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.678 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 57.8 mm-40 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.315 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.391 0.615 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.67 -33.77 76.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.517 -0.739 . . . . 0.0 110.639 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.5 tp -70.11 -34.2 72.81 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.059 -1.025 . . . . 0.0 109.232 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.72 -42.24 98.68 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.898 . . . . 0.0 109.464 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.97 -40.13 88.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.241 -0.912 . . . . 0.0 109.19 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.59 73.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.9 ttm -60.59 -50.91 71.65 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.885 0.85 . . . . 0.0 109.424 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.69 -37.9 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.62 -0.675 . . . . 0.0 109.299 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.05 93.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.079 -1.013 . . . . 0.0 109.931 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.56 -48.4 81.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.266 -0.896 . . . . 0.0 110.414 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.425 HD13 HG23 ' B' ' 11' ' ' ILE . 95.1 mt -60.13 -50.28 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.854 -1.154 . . . . 0.0 109.743 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.07 -43.02 95.74 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.165 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.41 -39.94 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.479 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -66.96 -58.08 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.964 -1.085 . . . . 0.0 110.558 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -60.09 -39.99 88.07 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.199 -0.938 . . . . 0.0 111.585 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -69.62 -39.61 77.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.267 -1.52 . . . . 0.0 109.693 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.502 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 42.3 t80 -75.83 -46.89 28.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.203 -0.936 . . . . 0.0 110.39 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.3 t -72.76 -21.33 61.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.56 23.22 13.28 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 121.016 -1.053 . . . . 0.0 110.587 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtm105 -83.0 -41.89 18.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.957 -1.319 . . . . 0.0 109.947 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.1 tt0 -176.91 151.68 0.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.638 -0.664 . . . . 0.0 109.735 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 91.73 66.04 1.14 Allowed Glycine 0 N--CA 1.499 2.871 0 O-C-N 120.947 -1.096 . . . . 0.0 111.511 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 22' ' ' GLY . 94.4 m-20 54.09 101.56 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.173 . . . . 0.0 109.533 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 9.0 mtpm? -54.43 137.69 41.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.331 -0.855 . . . . 0.0 109.28 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 8.6 t60 76.01 43.95 0.15 Allowed 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.463 0.649 . . . . 0.0 109.659 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -162.1 124.16 2.82 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.9 mm? -96.45 114.73 26.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.194 . . . . 0.0 110.546 -178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.17 166.26 12.42 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -54.13 -40.03 67.02 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.205 -0.934 . . . . 0.0 110.473 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -68.2 -33.88 75.24 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.987 -1.07 . . . . 0.0 110.258 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 72.4 mt-10 -69.84 -30.36 67.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 108.769 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.12 -39.89 71.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.696 -0.627 . . . . 0.0 109.926 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -63.75 -41.67 97.96 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.356 -0.84 . . . . 0.0 109.586 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -45.1 69.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.207 -0.933 . . . . 0.0 109.493 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.502 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 45.9 tp -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.362 -0.837 . . . . 0.0 109.524 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -61.4 -50.16 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.487 -0.758 . . . . 0.0 110.343 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.04 -40.34 95.41 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.761 . . . . 0.0 110.621 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -84.68 -33.13 23.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.275 -0.891 . . . . 0.0 110.489 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 35' ' ' LEU . 36.8 tp10 -83.89 -77.04 0.27 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.427 -0.796 . . . . 0.0 111.421 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -70.89 128.93 37.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 109.747 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 78.5 p -116.32 -72.97 0.66 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.454 -0.779 . . . . 0.0 109.151 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.613 ' NE2' ' CE2' ' B' ' 43' ' ' PHE . 12.6 p80 -91.08 6.72 43.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 109.332 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.613 ' CE2' ' NE2' ' B' ' 42' ' ' HIS . 66.3 m-85 -99.2 -2.63 36.25 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.87 137.44 38.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.07 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -160.01 119.84 2.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.008 -1.057 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.4 mt -97.87 118.09 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.116 -0.99 . . . . 0.0 109.447 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.547 ' CB ' ' HZ2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -106.69 -23.06 12.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.475 -0.766 . . . . 0.0 109.47 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.94 136.7 48.04 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.329 -0.857 . . . . 0.0 110.559 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.02 -31.59 70.5 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.612 0.72 . . . . 0.0 109.448 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -56.21 -30.9 62.94 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.571 -0.706 . . . . 0.0 109.195 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -68.92 -33.81 61.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.89 -41.74 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.53 -40.44 91.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 0.0 109.706 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.43 -49.93 75.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.194 -0.941 . . . . 0.0 108.597 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.62 -41.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.609 -0.682 . . . . 0.0 109.725 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.425 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 1.7 tpt -60.08 -42.51 94.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.318 -0.864 . . . . 0.0 110.187 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.5 -40.29 94.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.076 -1.015 . . . . 0.0 108.655 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -65.51 -39.8 92.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.51 -0.744 . . . . 0.0 109.476 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.35 -41.38 73.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.469 -0.769 . . . . 0.0 109.614 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 55.6 t0 -69.26 89.75 0.48 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.093 -1.004 . . . . 0.0 110.72 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.0 -24.6 63.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 108.911 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.03 -10.06 34.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.33 -0.856 . . . . 0.0 110.929 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.87 17.49 71.49 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.513 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 87.6 m-20 -68.13 -9.2 44.76 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.332 -1.099 . . . . 0.0 110.083 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.465 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.99 -16.12 39.49 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -130.24 164.97 23.38 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.305 -1.115 . . . . 0.0 108.993 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 93.1 m -103.57 108.9 20.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.16 -0.962 . . . . 0.0 109.497 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.0 t70 -69.79 177.59 3.0 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.887 0.851 . . . . 0.0 111.112 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 63.0 t80 -60.25 -49.01 79.31 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.66 0.743 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -59.57 -54.0 51.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.438 -0.789 . . . . 0.0 109.252 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' B' ' 75' ' ' ALA . 41.0 mt-10 -60.02 -46.68 88.7 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.052 -1.03 . . . . 0.0 108.384 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -45.03 -38.05 4.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 52.6 tpp -68.36 -27.93 66.69 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.381 -0.824 . . . . 0.0 109.166 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.04 -56.9 15.99 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -56.21 -39.49 72.55 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.34 -44.41 95.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.2 p -67.11 -43.12 83.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 110.055 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.508 ' O ' ' N ' ' B' ' 83' ' ' ALA . 28.0 ttt -56.47 -41.68 76.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.461 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.0 -31.35 49.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.15 -0.969 . . . . 0.0 108.456 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.546 ' HG1' ' CG ' ' A' ' 7' ' ' MET . 25.5 m -80.65 -49.62 11.0 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.721 0.772 . . . . 0.0 108.99 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -71.65 -17.34 62.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.809 -0.557 . . . . 0.0 110.199 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.94 -42.57 48.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.2 m -85.54 133.72 34.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.447 -0.783 . . . . 0.0 110.941 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -80.73 169.34 17.73 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -47.47 114.19 0.84 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.577 -1.327 . . . . 0.0 109.578 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -105.67 -20.58 13.41 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.396 -0.815 . . . . 0.0 110.948 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.559 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 32.2 p90 -81.01 104.31 11.42 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.787 -1.195 . . . . 0.0 109.857 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -109.11 124.24 50.47 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.261 -0.899 . . . . 0.0 108.678 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.701 ' CD2' ' H ' ' B' ' 91' ' ' GLU . 71.4 t60 53.27 -136.57 1.34 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.0 108.715 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.701 ' H ' ' CD2' ' B' ' 90' ' ' HIS . 56.2 mm-40 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.234 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.451 ' HG ' ' H ' ' A' ' 3' ' ' LEU . 3.3 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.95 -35.11 74.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.231 -0.918 . . . . 0.0 110.003 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' A' ' 1' ' ' SER . 71.2 mt -70.0 -32.78 71.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.116 . . . . 0.0 110.718 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -62.61 -45.64 91.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.799 -1.188 . . . . 0.0 109.622 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -61.43 -38.05 85.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.312 -0.868 . . . . 0.0 110.685 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.17 -48.48 81.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.513 -178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.4 -43.14 86.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.015 -1.053 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.014 -1.054 . . . . 0.0 110.118 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.19 -44.47 96.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.079 -1.013 . . . . 0.0 109.681 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.433 HG23 HD13 ' A' ' 11' ' ' ILE . 81.4 mt -60.09 -51.31 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.798 -1.189 . . . . 0.0 109.772 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.99 -43.84 94.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.128 -0.982 . . . . 0.0 109.196 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -39.92 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -0.795 . . . . 0.0 109.869 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -64.14 -59.94 3.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.502 ' NE2' ' OE2' ' B' ' 86' ' ' GLU . 73.8 m80 -61.31 -40.88 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.98 -1.075 . . . . 0.0 112.043 -177.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -70.1 -41.33 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.185 -1.572 . . . . 0.0 109.468 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.7 t80 -73.07 -44.01 61.15 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.588 0.708 . . . . 0.0 109.232 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -73.11 -23.13 60.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.698 -0.626 . . . . 0.0 110.349 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.37 23.4 15.63 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -83.48 -44.19 14.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.973 -1.31 . . . . 0.0 108.746 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -148.83 156.0 41.72 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.331 -0.856 . . . . 0.0 109.712 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.89 -171.7 55.15 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -80.32 150.27 29.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -1.049 . . . . 0.0 109.608 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 68.1 mttm -74.1 136.29 42.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 0.0 109.987 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 27.1 t-80 93.73 -15.29 0.12 Allowed 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 123.135 0.574 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.52 116.31 31.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.235 -0.916 . . . . 0.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -94.78 120.07 34.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.11 -0.994 . . . . 0.0 109.443 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -91.04 163.22 14.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.566 -0.708 . . . . 0.0 109.312 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.0 -44.89 83.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.076 -1.015 . . . . 0.0 110.268 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 t -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.853 -1.155 . . . . 0.0 108.705 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.14 -36.08 79.12 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -69.99 -41.21 74.71 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.906 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.9 -40.0 96.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.253 -0.904 . . . . 0.0 109.536 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.95 -43.54 94.96 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.839 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.525 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 64.0 tp -59.93 -41.69 92.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 0.0 109.765 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.416 HD12 HG23 ' A' ' 36' ' ' ILE . 96.5 mt -67.66 -40.1 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.0 109.698 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -80.03 -19.84 46.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.544 -0.723 . . . . 0.0 110.754 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -57.89 -56.95 15.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 111.616 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.99 -6.16 0.68 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.649 -1.282 . . . . 0.0 110.278 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -90.74 123.02 33.99 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.93 -1.106 . . . . 0.0 109.171 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -159.64 -28.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.249 -0.907 . . . . 0.0 110.087 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -68.92 -24.43 64.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.136 -0.977 . . . . 0.0 109.493 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -99.38 -17.37 18.03 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.393 -0.817 . . . . 0.0 109.85 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.0 mt -140.22 110.82 6.76 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' GLU . 86.0 tt0 -109.83 -29.04 8.48 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.409 -0.807 . . . . 0.0 109.442 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' GLU . 78.4 mm-40 -61.03 -129.68 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.351 -0.843 . . . . 0.0 109.717 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.2 mt 49.02 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.072 -1.018 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -103.77 -16.39 15.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.268 -0.895 . . . . 0.0 109.159 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -123.12 144.93 49.0 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -59.97 -35.42 74.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.042 -1.036 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -54.34 -30.27 50.94 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.032 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.31 -33.71 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.0 108.722 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.48 -42.42 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.37 -0.831 . . . . 0.0 108.854 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 48.0 t0 -60.05 -42.67 94.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.015 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.72 -42.63 97.64 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.15 -0.969 . . . . 0.0 108.659 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.24 -39.93 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.489 -0.757 . . . . 0.0 109.103 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 96.0 mmm -65.25 -40.7 94.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.752 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -61.0 -48.02 83.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.178 -0.951 . . . . 0.0 109.53 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -68.86 -40.19 79.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.2 tp -72.12 -40.08 68.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.487 -0.758 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' MET . 45.3 t0 -80.73 54.63 2.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 110.746 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.26 -38.91 84.97 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 2.9 p-10 -59.65 -34.77 73.25 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.957 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 87.79 87.88 1.13 Allowed Glycine 0 N--CA 1.488 2.118 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 82.2 m-20 -147.17 -30.08 0.35 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.558 -0.966 . . . . 0.0 110.855 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.42 -13.78 61.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -137.35 160.5 38.9 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 t -100.78 107.14 18.64 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.762 -1.212 . . . . 0.0 109.437 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 173.01 4.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 111.111 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.07 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.454 HE21 ' CG2' ' B' ' 82' ' ' THR . 26.2 mp0 -58.38 -52.82 64.01 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.757 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 75' ' ' ALA . 82.1 mt-10 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -47.25 -39.2 13.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -69.72 -25.78 64.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.306 -0.871 . . . . 0.0 108.816 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -66.3 -56.4 11.34 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.04 -39.18 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.06 -45.48 95.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -65.9 -42.13 90.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.487 -0.758 . . . . 0.0 109.602 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 83' ' ' ALA . 64.9 mmm -55.72 -41.24 73.58 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.742 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.6 m -84.45 -49.95 8.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.625 0.726 . . . . 0.0 109.437 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.473 ' CG2' HE21 ' B' ' 71' ' ' GLN . 4.2 m -70.89 -19.15 62.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.668 -0.645 . . . . 0.0 110.091 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -75.53 -40.64 56.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.12 -0.987 . . . . 0.0 109.474 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 76.4 m -71.17 129.09 38.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.835 . . . . 0.0 109.953 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -80.01 168.25 19.42 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.372 -0.83 . . . . 0.0 108.82 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.533 ' OE2' ' NE2' ' B' ' 15' ' ' HIS . 99.4 mt-10 -68.04 108.68 3.17 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.995 -1.066 . . . . 0.0 109.61 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -95.49 -12.8 25.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.269 -0.894 . . . . 0.0 109.178 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -89.95 9.09 29.13 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.346 -0.846 . . . . 0.0 109.297 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 90' ' ' HIS . 49.3 tp10 -93.67 -19.17 21.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.828 . . . . 0.0 108.848 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' A' ' 89' ' ' GLU . 93.5 m-70 46.53 98.39 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.421 -0.8 . . . . 0.0 110.518 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.484 179.623 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.534 ' HG ' ' N ' ' B' ' 2' ' ' GLU . 4.5 t . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.534 ' N ' ' HG ' ' B' ' 1' ' ' SER . 40.5 mt-10 -59.89 -35.03 74.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 0.0 109.864 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.02 -32.78 71.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.852 -1.155 . . . . 0.0 110.689 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -62.62 -45.87 90.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.812 -1.18 . . . . 0.0 109.564 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.97 -38.11 84.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.266 -0.896 . . . . 0.0 110.82 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.92 -48.87 79.95 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.572 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.21 -43.14 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.065 -1.022 . . . . 0.0 110.175 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.08 -40.03 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.95 87.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.031 -1.043 . . . . 0.0 110.222 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.19 -44.36 96.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.92 -51.45 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.751 -1.218 . . . . 0.0 109.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.98 -43.67 94.97 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.195 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.16 -39.93 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 0.0 109.873 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -64.48 -59.91 3.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.349 -0.845 . . . . 0.0 110.775 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.533 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 73.4 m80 -61.19 -40.95 95.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 112.035 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -70.27 -40.89 74.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.197 -1.564 . . . . 0.0 109.544 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 61.2 t80 -73.22 -43.97 60.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.633 0.73 . . . . 0.0 109.275 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.6 t -73.18 -23.17 60.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.69 -0.632 . . . . 0.0 110.328 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.23 23.38 15.18 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -83.37 -44.17 15.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.954 -1.321 . . . . 0.0 108.824 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -148.86 156.01 41.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.334 -0.853 . . . . 0.0 109.595 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.86 -171.85 55.18 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.27 150.53 29.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -1.05 . . . . 0.0 109.591 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 68.4 mttm -74.4 136.8 42.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 0.0 109.882 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.534 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 24.9 t-80 93.7 -15.35 0.12 Allowed 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 123.111 0.564 . . . . 0.0 110.581 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.71 116.28 31.42 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.924 . . . . 0.0 109.775 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.8 mm? -94.67 120.18 34.48 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.157 -0.965 . . . . 0.0 109.381 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -90.98 163.43 14.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.622 -0.674 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.01 -44.9 83.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.091 -1.005 . . . . 0.0 110.362 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.2 t -60.64 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.902 -1.124 . . . . 0.0 108.825 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.02 -36.28 79.67 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.94 -41.2 74.88 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.891 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.77 -40.0 95.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.672 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -43.49 95.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.432 -0.792 . . . . 0.0 109.741 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.53 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.5 tp -59.99 -41.91 93.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.628 -179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.42 HD11 HG21 ' B' ' 36' ' ' ILE . 96.6 mt -67.35 -40.23 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.21 -0.931 . . . . 0.0 109.747 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.94 -19.89 46.94 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.464 -0.772 . . . . 0.0 110.72 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.07 -56.89 16.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.116 -0.99 . . . . 0.0 111.515 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -144.76 -6.33 0.69 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.74 -1.225 . . . . 0.0 110.461 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.6 tp -90.81 123.18 34.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.955 -1.09 . . . . 0.0 109.21 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -159.48 -29.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.291 -0.881 . . . . 0.0 110.204 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -68.73 -24.34 64.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.068 -1.02 . . . . 0.0 109.501 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -99.5 -17.4 17.92 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.809 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.26 110.82 6.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.234 -0.916 . . . . 0.0 109.066 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 46' ' ' GLU . 85.8 tt0 -109.85 -29.09 8.45 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.328 -0.858 . . . . 0.0 109.477 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 45' ' ' GLU . 78.1 mm-40 -60.97 -129.4 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.345 -0.847 . . . . 0.0 109.686 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mt 48.95 63.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -103.84 -16.22 15.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.208 -0.932 . . . . 0.0 109.144 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -123.14 144.75 49.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.95 -35.11 74.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.963 -1.086 . . . . 0.0 109.176 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -54.74 -30.26 55.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.305 -0.872 . . . . 0.0 108.91 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.44 -33.56 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 108.667 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.75 -42.07 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.386 -0.821 . . . . 0.0 108.856 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' B' ' 54' ' ' ASP . 48.8 t0 -60.08 -42.87 95.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.48 -0.763 . . . . 0.0 109.971 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.61 -42.81 97.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.14 -0.975 . . . . 0.0 108.526 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -40.0 83.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.532 -0.73 . . . . 0.0 109.071 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.3 mmm -65.23 -40.94 94.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.426 -0.796 . . . . 0.0 109.739 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -60.81 -47.89 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.15 -0.969 . . . . 0.0 109.552 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.09 -40.33 78.46 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.77 -40.74 69.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.567 -0.708 . . . . 0.0 109.844 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -80.35 54.86 2.1 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.22 -38.59 83.84 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 2.9 p-10 -59.8 -34.77 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.928 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 87.79 87.78 1.13 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 82.7 m-20 -146.89 -30.41 0.35 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.455 -1.027 . . . . 0.0 110.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.86 -13.99 61.46 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -137.19 160.98 37.44 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.19 107.23 18.57 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.873 -1.142 . . . . 0.0 109.372 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.79 173.15 4.58 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.367 -0.833 . . . . 0.0 111.146 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.06 -49.95 75.63 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.445 0.64 . . . . 0.0 109.374 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.473 HE21 ' CG2' ' A' ' 82' ' ' THR . 26.3 mp0 -58.4 -52.76 64.26 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.356 -0.937 . . . . 0.0 108.778 -179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 75' ' ' ALA . 84.5 mt-10 -60.07 -46.58 89.09 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -47.17 -39.39 13.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -69.81 -25.58 63.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 108.898 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -66.73 -55.74 13.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.44 -39.14 67.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.0 -45.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -65.98 -42.14 90.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.591 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 83' ' ' ALA . 66.1 mmm -55.87 -41.05 73.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 108.746 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.12 -30.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -84.38 -49.95 8.24 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.622 0.725 . . . . 0.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.454 ' CG2' HE21 ' A' ' 71' ' ' GLN . 4.5 m -71.11 -19.25 62.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.16 -41.07 58.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.449 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 88.7 m -70.86 128.88 37.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 110.016 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.1 168.09 19.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 0.0 108.831 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.502 ' OE2' ' NE2' ' A' ' 15' ' ' HIS . 99.4 mt-10 -67.8 108.75 3.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.982 -1.074 . . . . 0.0 109.571 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -95.59 -12.81 25.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.244 -0.91 . . . . 0.0 109.181 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -89.85 8.88 29.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -0.876 . . . . 0.0 109.242 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' B' ' 90' ' ' HIS . 49.1 tp10 -93.6 -19.08 21.51 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.39 -0.819 . . . . 0.0 108.929 179.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' B' ' 89' ' ' GLU . 93.9 m-70 46.71 98.26 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.454 -0.779 . . . . 0.0 110.539 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.472 179.545 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.71 -30.41 70.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.861 -1.15 . . . . 0.0 109.518 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 3' ' ' LEU . 7.9 mp -70.7 -32.18 69.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.181 -0.95 . . . . 0.0 109.509 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 8' ' ' VAL . 85.5 tt0 -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.078 -1.014 . . . . 0.0 108.683 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.58 -40.19 84.84 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 109.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.34 82.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 109.786 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.519 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 23.6 tpp -64.81 -52.52 56.37 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.12 0.962 . . . . 0.0 108.582 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 4' ' ' GLU . 74.7 t -59.74 -40.0 81.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.649 -0.657 . . . . 0.0 109.815 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.35 93.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.032 -1.042 . . . . 0.0 109.498 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.57 -49.42 77.61 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.205 -0.934 . . . . 0.0 111.502 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.86 -49.3 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.77 -40.99 85.56 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.47 -41.35 78.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 110.031 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.07 -58.49 5.93 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.924 -1.11 . . . . 0.0 111.092 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.5 -40.53 87.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 111.02 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -68.32 -39.84 81.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.347 -1.471 . . . . 0.0 108.02 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.495 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 64.6 t80 -73.21 -41.04 64.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.566 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -69.48 -18.69 63.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.36 22.99 20.8 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -80.29 -47.16 14.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.757 -1.437 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -150.86 147.25 27.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 -169.8 50.91 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -73.45 147.95 43.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.499 -1.0 . . . . 0.0 109.261 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 96.7 mttt -70.1 140.02 52.63 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.595 -0.691 . . . . 0.0 110.045 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.0 t60 78.33 39.13 0.15 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.713 . . . . 0.0 109.359 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.87 109.51 3.43 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -97.22 116.36 29.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.639 -1.288 . . . . 0.0 109.787 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -87.17 160.95 18.32 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -57.54 -41.09 80.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.907 -1.121 . . . . 0.0 109.387 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -64.19 -39.66 94.44 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 108.688 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -69.73 -37.22 76.43 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.426 1.108 . . . . 0.0 108.687 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.82 -41.51 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.56 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 50.9 tp10 -64.21 -44.35 92.19 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.046 -1.034 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.0 tt -59.9 -48.77 80.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.407 -0.808 . . . . 0.0 110.522 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.0 mt -60.58 -46.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.247 -0.908 . . . . 0.0 109.266 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.17 -43.45 98.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.034 -1.041 . . . . 0.0 110.895 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 90.6 m-20 -81.26 -46.83 14.2 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.809 -1.182 . . . . 0.0 111.757 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -88.03 -74.96 0.43 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.784 -1.198 . . . . 0.0 111.279 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 36' ' ' ILE . 61.6 tp -85.32 93.5 8.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.781 -1.2 . . . . 0.0 110.319 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -145.46 -33.5 0.35 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.294 -0.879 . . . . 0.0 109.012 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -68.81 -19.01 64.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.601 -0.687 . . . . 0.0 110.932 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.6 -15.36 13.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.119 -0.988 . . . . 0.0 109.823 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.7 tp -140.0 140.83 36.34 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.281 -0.887 . . . . 0.0 108.629 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -125.08 -109.41 0.32 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.577 -0.702 . . . . 0.0 110.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 47.29 -142.35 0.43 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.327 -0.858 . . . . 0.0 109.885 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 47' ' ' ILE . 87.7 mt 49.87 70.0 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.16 -0.963 . . . . 0.0 110.397 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -107.44 -12.32 15.33 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.152 -0.968 . . . . 0.0 109.661 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 88.3 tt0 -136.1 150.69 49.22 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.228 -0.92 . . . . 0.0 109.595 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.97 . . . . 0.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 76.9 mm-40 -57.05 -32.64 66.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.848 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.4 -35.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.738 -1.226 . . . . 0.0 107.73 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.88 -40.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.04 -40.87 90.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.421 -0.799 . . . . 0.0 109.863 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -67.03 -50.99 60.31 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 118.884 -1.127 . . . . 0.0 108.725 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -63.31 -43.34 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.657 -0.652 . . . . 0.0 110.429 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.61 -49.45 76.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.181 -0.949 . . . . 0.0 109.608 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -40.69 92.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.052 -1.03 . . . . 0.0 109.129 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.2 m -66.99 -40.07 87.29 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.63 HD23 ' C ' ' A' ' 60' ' ' LEU . 7.4 tt -59.71 -46.78 88.05 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.718 . . . . 0.0 109.149 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' A' ' 57' ' ' MET . 99.3 m-20 -62.52 100.01 0.17 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 110.533 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.46 -39.91 89.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.481 -0.762 . . . . 0.0 109.573 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -95.7 -1.64 49.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.487 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 23.85 74.71 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 119.148 -1.501 . . . . 0.0 110.279 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 34.4 p-10 -66.32 -8.24 23.93 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.059 -1.26 . . . . 0.0 109.61 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -22.18 11.7 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -121.31 175.88 5.92 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.355 -1.085 . . . . 0.0 108.407 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.9 t -113.39 103.47 11.33 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-O 121.93 0.871 . . . . 0.0 109.065 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.25 169.03 12.93 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.136 0.969 . . . . 0.0 110.863 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.567 0.699 . . . . 0.0 109.192 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -59.94 -56.87 16.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 108.947 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.6 mt-10 -59.9 -40.99 90.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.004 . . . . 0.0 108.545 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -48.76 -40.84 30.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -65.53 -34.12 77.51 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.189 -0.944 . . . . 0.0 108.994 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.78 -55.03 34.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.8 -39.23 71.02 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.71 -45.34 97.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 81' ' ' THR . 70.9 m -66.6 -43.52 84.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.346 -0.846 . . . . 0.0 109.192 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 83' ' ' ALA . 55.6 ttm -50.81 -40.53 55.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.07 . . . . 0.0 108.885 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.64 -26.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 78' ' ' SER . 4.6 m -82.59 -50.92 8.26 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.439 0.637 . . . . 0.0 109.364 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.422 ' CG2' HE22 ' B' ' 71' ' ' GLN . 30.6 p -72.46 -19.55 61.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.458 -0.777 . . . . 0.0 110.266 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -74.79 -47.48 30.6 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.905 -1.122 . . . . 0.0 109.444 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.3 -1.546 0 O-C-N 121.697 -0.627 . . . . 0.0 109.349 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.89 -30.65 70.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.663 -1.273 . . . . 0.0 109.59 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.649 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.1 mp -70.44 -32.23 69.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.146 -0.971 . . . . 0.0 109.463 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -41.48 92.36 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.403 -0.919 . . . . 0.0 108.677 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -67.34 -39.95 85.82 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.015 -1.053 . . . . 0.0 109.401 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.09 78.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.27 -0.894 . . . . 0.0 109.286 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.462 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 25.7 tpp -63.33 -53.2 56.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.047 0.927 . . . . 0.0 108.711 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.01 -40.35 82.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.741 -0.599 . . . . 0.0 109.779 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.28 92.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.056 -1.028 . . . . 0.0 109.579 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.81 -49.36 77.79 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 111.623 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -60.26 -48.93 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 109.457 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.2 -40.24 85.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.605 -0.684 . . . . 0.0 109.233 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.61 -42.29 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 110.078 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.05 -57.87 7.54 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.893 -1.13 . . . . 0.0 111.511 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -59.95 -40.08 87.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.851 -1.156 . . . . 0.0 110.681 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -68.33 -39.44 81.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.427 -1.42 . . . . 0.0 108.409 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.492 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 59.8 t80 -74.15 -40.79 62.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.489 -0.757 . . . . 0.0 110.428 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 43.5 m -69.7 -17.58 63.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.732 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.88 21.83 28.39 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -79.83 -46.95 15.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.727 -1.455 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -150.95 146.92 26.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.308 -0.87 . . . . 0.0 109.827 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -170.01 50.0 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -73.29 148.35 43.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -1.06 . . . . 0.0 109.238 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 97.0 mttt -70.56 140.04 51.65 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.0 t60 78.47 39.83 0.13 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.533 -0.729 . . . . 0.0 109.131 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -153.37 109.76 3.36 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.55 115.59 28.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.828 -1.17 . . . . 0.0 109.929 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -86.68 160.47 18.85 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -57.2 -42.51 81.41 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.772 -1.205 . . . . 0.0 109.196 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -62.26 -39.99 94.74 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.111 -0.993 . . . . 0.0 108.591 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 122.294 1.045 . . . . 0.0 109.059 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 tp -63.1 -41.58 99.4 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.2 -42.32 98.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.6 tp10 -63.19 -44.83 94.29 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.345 -0.847 . . . . 0.0 109.817 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.492 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.7 tt -59.93 -48.83 80.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 110.168 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -60.1 -46.43 94.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.313 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -62.11 -42.24 99.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.816 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 88.5 m-20 -82.4 -46.22 13.81 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.828 -1.17 . . . . 0.0 111.647 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -88.58 -75.37 0.43 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.883 -1.136 . . . . 0.0 111.33 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 36' ' ' ILE . 63.2 tp -84.58 92.73 8.2 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.999 -1.063 . . . . 0.0 110.04 -178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.5 p -144.8 -33.88 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.231 -0.918 . . . . 0.0 109.336 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -68.42 -19.7 64.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.629 -0.67 . . . . 0.0 110.972 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -111.5 -15.9 13.42 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.155 -0.965 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 tp -139.88 141.03 36.61 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.189 -0.945 . . . . 0.0 108.584 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -125.28 -109.94 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.568 -0.708 . . . . 0.0 110.071 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 48.14 -141.98 0.52 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.308 -0.87 . . . . 0.0 109.732 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.413 ' O ' HG22 ' B' ' 47' ' ' ILE . 86.5 mt 50.21 69.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 0.0 110.264 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -107.71 -12.63 15.19 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.283 -0.886 . . . . 0.0 109.687 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.458 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 87.0 tt0 -135.89 150.63 49.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 0.0 109.368 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -60.28 -39.62 87.52 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.433 -0.792 . . . . 0.0 109.957 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 76.5 mm-40 -57.11 -32.1 65.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.172 -0.955 . . . . 0.0 109.897 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.88 -36.36 75.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.55 -41.65 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.22 -40.08 88.93 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.503 -0.748 . . . . 0.0 110.175 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.99 -51.57 53.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.89 -1.131 . . . . 0.0 108.658 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.73 -42.93 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.486 -0.759 . . . . 0.0 110.732 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.13 -49.41 75.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.98 -1.075 . . . . 0.0 109.826 -178.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.34 -40.91 92.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.814 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -66.29 -39.98 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.617 ' C ' HD23 ' B' ' 60' ' ' LEU . 8.0 tt -59.97 -47.11 87.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.612 -0.68 . . . . 0.0 109.295 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' B' ' 57' ' ' MET . 98.1 m-20 -62.26 100.03 0.16 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.757 0.789 . . . . 0.0 110.354 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.47 -39.66 88.44 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -96.04 -2.23 47.23 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.435 -0.79 . . . . 0.0 111.366 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.75 23.29 75.65 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.082 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 33.1 p-10 -65.4 -8.85 20.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.096 -1.238 . . . . 0.0 109.524 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.09 -25.43 7.76 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -119.59 172.64 7.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.187 -1.184 . . . . 0.0 108.426 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -108.41 104.92 14.38 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.176 -0.952 . . . . 0.0 109.342 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -70.09 169.53 13.29 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 122.05 0.928 . . . . 0.0 111.142 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.71 -43.57 97.65 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.691 0.758 . . . . 0.0 109.181 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.422 HE22 ' CG2' ' A' ' 82' ' ' THR . 87.0 mm-40 -60.22 -57.04 14.5 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.18 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.5 mt-10 -59.89 -40.62 89.36 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.42 ' O ' HG23 ' B' ' 77' ' ' VAL . 80.9 t80 -48.17 -40.19 23.17 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.68 -35.15 79.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.345 -0.847 . . . . 0.0 108.862 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.34 -55.14 37.19 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.08 -40.16 73.18 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 73' ' ' PHE . 54.7 t -59.81 -45.1 95.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.532 ' O ' ' N ' ' B' ' 81' ' ' THR . 67.9 m -67.25 -43.95 80.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.334 -0.854 . . . . 0.0 108.937 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.432 ' O ' ' N ' ' B' ' 83' ' ' ALA . 55.5 ttm -50.32 -41.42 51.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.005 -1.06 . . . . 0.0 108.879 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.88 -26.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.532 ' N ' ' O ' ' B' ' 78' ' ' SER . 4.4 m -82.99 -51.56 7.46 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.5 p -71.81 -19.96 61.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.611 -0.68 . . . . 0.0 110.391 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -74.37 -47.68 32.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.927 -1.108 . . . . 0.0 109.36 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 81.6 m . . . . . 0 C--N 1.301 -1.535 0 CA-C-O 121.466 0.65 . . . . 0.0 109.476 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.29 -31.3 72.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.217 -0.927 . . . . 0.0 110.002 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.96 -30.45 67.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.083 -1.01 . . . . 0.0 109.263 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.78 -39.98 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.329 -0.857 . . . . 0.0 109.898 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -64.41 -40.05 95.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.993 . . . . 0.0 109.834 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.93 83.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.414 -0.804 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -60.15 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.222 -0.924 . . . . 0.0 108.942 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.83 -40.08 81.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -42.86 92.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.678 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.91 -50.06 75.23 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.059 -1.025 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.96 -49.93 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 110.219 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.9 -40.13 87.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.272 -0.892 . . . . 0.0 109.43 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -40.74 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.915 . . . . 0.0 109.652 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.76 -55.97 21.76 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.982 -1.074 . . . . 0.0 111.274 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.97 -42.14 93.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.884 -1.135 . . . . 0.0 111.12 -176.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.485 ' O ' ' NH1' ' A' ' 20' ' ' ARG . 94.9 mt-30 -70.45 -40.19 73.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.109 -1.619 . . . . 0.0 109.639 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.64 -46.64 65.73 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.768 0.794 . . . . 0.0 109.12 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.0 t -70.93 -14.85 62.52 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.96 14.35 62.16 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.485 ' NH1' ' O ' ' A' ' 16' ' ' GLN . 80.6 mmt-85 -72.73 -40.16 66.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.412 . . . . 0.0 109.039 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.45 1.94 33.1 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.89 3.06 90.58 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -90.08 84.68 6.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.333 -1.098 . . . . 0.0 110.034 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -75.86 161.74 28.73 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 45.26 33.58 1.23 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.615 -1.303 . . . . 0.0 110.828 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -169.68 97.39 0.31 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.0 mp -96.68 128.86 44.03 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.82 157.51 19.56 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.505 -0.747 . . . . 0.0 110.246 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 35.8 ttpt -55.2 -46.36 75.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.661 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -60.13 -37.51 80.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.892 -1.13 . . . . 0.0 108.41 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.1 -46.42 90.68 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.93 -41.09 95.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.366 -0.834 . . . . 0.0 109.678 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.95 -44.55 94.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 0.0 109.336 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.0 -46.85 88.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.608 -0.683 . . . . 0.0 110.282 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.15 -49.71 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.037 -1.039 . . . . 0.0 111.155 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.956 -1.09 . . . . 0.0 110.069 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -76.33 -47.44 23.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.847 . . . . 0.0 110.957 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -84.01 -71.62 0.5 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.197 -0.939 . . . . 0.0 112.65 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -91.77 121.05 33.05 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.765 -1.209 . . . . 0.0 111.619 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.3 m -135.47 -48.54 0.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.84 -20.01 53.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.53 -0.731 . . . . 0.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.67 -17.63 17.68 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.323 -0.86 . . . . 0.0 109.91 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.96 135.39 10.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -171.34 -133.69 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 53.77 29.96 10.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -95.61 115.5 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.182 -0.949 . . . . 0.0 108.503 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -89.96 -79.53 0.34 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.225 -0.922 . . . . 0.0 110.576 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.28 166.62 10.47 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.825 0.821 . . . . 0.0 110.717 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' VAL . 35.2 tt0 -60.01 -37.82 80.84 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.479 0.657 . . . . 0.0 109.275 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 47.9 mp0 -48.03 -30.79 4.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.195 -0.941 . . . . 0.0 109.082 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.62 -36.02 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.063 -1.023 . . . . 0.0 108.493 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.1 t -66.99 -39.97 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.517 ' OD1' ' NZ ' ' A' ' 29' ' ' LYS . 90.2 m-20 -59.92 -39.61 86.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 0.0 109.136 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.96 -48.41 81.81 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.383 -0.823 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.98 -41.48 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.94 -41.37 95.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.311 -0.868 . . . . 0.0 111.078 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.24 -40.93 91.99 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.057 -1.027 . . . . 0.0 109.896 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.23 -38.62 78.61 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.36 -0.837 . . . . 0.0 109.841 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.02 -39.94 75.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.468 -0.77 . . . . 0.0 110.358 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.85 101.76 0.87 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.068 -1.02 . . . . 0.0 110.261 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.62 -39.97 92.08 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.582 -0.699 . . . . 0.0 109.61 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -89.87 -11.17 42.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.189 -0.944 . . . . 0.0 110.623 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.08 29.05 73.22 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -77.67 -0.58 27.24 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.247 -1.149 . . . . 0.0 110.287 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.7 -2.95 71.15 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.63 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -131.51 163.87 27.05 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.374 . . . . 0.0 108.284 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -104.56 103.59 13.29 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.903 -1.123 . . . . 0.0 109.833 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.0 t0 -71.44 176.59 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 110.955 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 58.1 t80 -60.07 -49.95 75.63 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.493 0.663 . . . . 0.0 109.572 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.5 -52.6 64.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.627 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.95 -44.13 94.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -47.96 -43.22 29.21 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 tpt -69.68 -39.67 76.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -14.79 4.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.121 -0.987 . . . . 0.0 111.119 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -92.23 -26.41 18.19 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.87 -41.82 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.351 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' THR . 46.7 t -71.48 -49.46 41.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.944 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 ttm -49.92 -41.32 45.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.088 -1.007 . . . . 0.0 109.55 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.64 -25.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -78.67 -49.75 12.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.8 p -71.07 -15.13 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.694 -0.629 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.23 62.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 0.0 110.1 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 81' ' ' THR . 27.6 p . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.172 -0.955 . . . . 0.0 110.171 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.6 -31.04 72.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.774 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.99 -30.45 67.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 109.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.84 -40.14 94.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.313 -0.867 . . . . 0.0 109.763 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -64.4 -40.04 95.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.974 -1.079 . . . . 0.0 109.847 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -48.07 83.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.202 -0.936 . . . . 0.0 109.44 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.95 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.01 . . . . 0.0 109.024 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.93 -39.94 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.62 93.68 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.819 -1.175 . . . . 0.0 109.567 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.06 -49.85 76.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.927 -1.108 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.09 -49.9 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.007 -1.058 . . . . 0.0 110.223 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.05 -39.99 87.89 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.434 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.67 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.256 -0.902 . . . . 0.0 109.757 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.81 -55.84 22.77 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.095 -1.003 . . . . 0.0 111.24 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -59.95 -42.63 94.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.961 -1.087 . . . . 0.0 111.081 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.47 ' O ' ' NH1' ' B' ' 20' ' ' ARG . 94.7 mt-30 -70.06 -39.97 75.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.191 -1.568 . . . . 0.0 109.909 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -69.89 -46.63 65.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.776 0.798 . . . . 0.0 109.097 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -70.87 -14.98 62.59 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.01 14.55 61.7 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' B' ' 16' ' ' GLN . 80.2 mmt-85 -72.78 -40.06 66.25 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.734 -1.451 . . . . 0.0 109.11 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.6 2.21 33.05 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.691 -0.63 . . . . 0.0 109.327 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 3.34 90.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -90.38 84.74 6.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -1.119 . . . . 0.0 110.039 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -75.82 161.5 28.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 45.15 33.78 1.21 Allowed 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.62 -1.3 . . . . 0.0 110.822 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -169.8 97.52 0.3 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.39 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.418 ' N ' HD12 ' B' ' 27' ' ' LEU . 11.0 mp -96.88 128.64 44.04 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -86.5 157.54 19.76 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.485 -0.759 . . . . 0.0 110.317 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.525 ' NZ ' ' OD1' ' B' ' 54' ' ' ASP . 35.3 ttpt -55.42 -46.27 76.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -0.906 . . . . 0.0 109.708 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.8 p -60.02 -37.68 80.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.959 -1.088 . . . . 0.0 108.346 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.92 -39.93 75.87 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -61.23 -46.08 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.1 -41.06 95.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.41 -0.806 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.09 -44.6 94.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -0.823 . . . . 0.0 109.212 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.98 -46.91 87.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.51 -0.744 . . . . 0.0 110.294 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -60.03 -49.65 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.984 -1.072 . . . . 0.0 111.141 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.12 -39.91 87.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 110.136 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.52 -47.25 23.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 111.016 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.99 -71.31 0.51 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.317 -0.864 . . . . 0.0 112.731 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.8 mt -92.13 121.2 33.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.849 -1.157 . . . . 0.0 111.508 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 52.2 m -135.79 -48.33 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.85 -19.99 53.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.591 -0.693 . . . . 0.0 109.472 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.73 -17.71 17.6 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.238 -0.914 . . . . 0.0 109.808 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.94 135.47 10.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.31 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -171.25 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 53.61 29.73 9.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.106 -0.996 . . . . 0.0 109.695 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -95.34 115.46 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.105 -0.997 . . . . 0.0 108.497 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -89.97 -79.47 0.34 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.657 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -102.19 167.16 10.18 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.777 0.798 . . . . 0.0 110.83 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' B' ' 53' ' ' VAL . 35.7 tt0 -59.93 -38.32 82.04 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.533 0.682 . . . . 0.0 109.275 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 48.2 mp0 -47.78 -30.9 4.32 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.155 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.65 -35.79 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.054 -1.029 . . . . 0.0 108.605 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.3 t -67.19 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.525 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 90.5 m-20 -59.93 -39.36 85.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.41 -0.806 . . . . 0.0 109.088 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.97 -49.04 79.22 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.44 -41.59 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.257 -0.902 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 ttt -64.7 -41.62 95.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.309 -0.87 . . . . 0.0 111.059 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.05 -41.44 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.115 -0.991 . . . . 0.0 109.852 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.98 -38.48 79.37 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.365 -0.834 . . . . 0.0 109.791 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.03 -40.98 74.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.415 -0.803 . . . . 0.0 110.093 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -66.1 102.64 0.84 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.783 -1.198 . . . . 0.0 110.377 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.97 -40.02 90.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.58 -0.7 . . . . 0.0 109.545 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -89.67 -11.0 43.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.704 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.99 73.33 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.7 -0.57 27.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.271 -1.135 . . . . 0.0 110.333 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 -3.04 70.92 Favored Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.973 -1.108 . . . . 0.0 111.69 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -131.37 163.64 27.43 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.969 -1.312 . . . . 0.0 108.309 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.21 103.54 13.32 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.994 -1.066 . . . . 0.0 109.911 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.2 t0 -71.38 176.48 4.6 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.314 -0.866 . . . . 0.0 111.072 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 57.9 t80 -59.95 -50.04 75.32 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.575 0.702 . . . . 0.0 109.615 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.31 -52.68 64.6 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.615 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.99 -44.53 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.91 -1.119 . . . . 0.0 108.013 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -47.38 -43.29 23.26 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -69.75 -39.65 76.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -14.76 4.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 111.208 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -92.32 -26.7 17.99 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.7 -41.68 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.354 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.455 ' O ' ' N ' ' B' ' 81' ' ' THR . 48.2 t -71.72 -49.47 39.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.105 -0.997 . . . . 0.0 109.937 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttm -49.82 -41.29 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.036 . . . . 0.0 109.539 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.51 -25.91 36.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.455 ' N ' ' O ' ' B' ' 78' ' ' SER . 23.2 m -78.89 -49.61 12.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.5 p -71.08 -15.06 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.74 -0.6 . . . . 0.0 109.698 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 110.209 -178.46 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.41 -30.59 71.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.146 -0.971 . . . . 0.0 109.947 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.57 -33.1 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.297 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.91 -40.27 92.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.98 -40.39 96.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.018 -1.051 . . . . 0.0 109.719 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.81 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.058 -1.026 . . . . 0.0 109.289 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.9 ttm -61.57 -50.81 71.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.71 -40.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.951 -1.093 . . . . 0.0 109.242 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.24 -49.76 76.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.052 -1.03 . . . . 0.0 110.71 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -49.97 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.04 -39.73 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.866 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 9' ' ' ALA . 53.4 t -70.29 -42.0 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.918 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.06 -55.82 25.15 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.645 -1.284 . . . . 0.0 111.085 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.46 -39.94 85.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.029 . . . . 0.0 111.601 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -68.66 -36.62 78.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.457 -1.402 . . . . 0.0 109.824 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 14.4 m-85 -83.95 -42.89 15.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.369 -0.832 . . . . 0.0 110.916 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.2 t -70.06 -21.78 63.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.639 -1.288 . . . . 0.0 110.052 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.9 21.35 11.66 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -87.11 -53.66 4.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -1.156 . . . . 0.0 109.256 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -147.41 160.52 42.46 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.237 -0.914 . . . . 0.0 109.288 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.59 -158.18 39.0 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.745 ' H ' ' NZ ' ' A' ' 28' ' ' LYS . 19.2 t0 -78.12 166.15 23.12 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.036 -1.273 . . . . 0.0 108.468 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.77 -39.96 90.75 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.362 -0.836 . . . . 0.0 111.387 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -111.77 1.07 16.45 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.699 -1.25 . . . . 0.0 112.995 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 127.22 53.19 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 120.442 -1.411 . . . . 0.0 109.325 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.71 131.45 45.68 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.424 -0.797 . . . . 0.0 109.161 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.745 ' NZ ' ' H ' ' A' ' 23' ' ' ASP . 14.1 mptt -93.95 166.62 12.07 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 50' ' ' GLN . 38.5 tttm -58.89 -49.33 78.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.38 -0.825 . . . . 0.0 110.282 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 m -60.32 -40.13 89.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.726 -1.234 . . . . 0.0 109.71 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.23 -45.01 96.33 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.49 -40.34 90.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 110.206 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.53 -46.45 88.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.105 -0.997 . . . . 0.0 110.55 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.75 -50.08 75.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.911 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 94.1 mt -60.75 -50.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.222 -0.924 . . . . 0.0 109.516 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -61.67 -40.08 93.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 110.681 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -76.59 -56.03 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.179 -0.951 . . . . 0.0 111.214 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 17' ' ' TYR . 95.5 mt-10 -87.18 -75.27 0.41 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.993 -1.067 . . . . 0.0 112.115 -177.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 60.3 tp -82.14 96.12 7.71 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.801 -1.187 . . . . 0.0 110.82 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 36' ' ' ILE . 14.6 m -147.29 -33.56 0.27 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -61.82 -13.2 21.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.589 -0.694 . . . . 0.0 110.435 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.481 ' C ' HD12 ' A' ' 44' ' ' LEU . 91.9 m-85 -111.07 -13.08 14.11 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.046 -1.034 . . . . 0.0 109.562 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.481 HD12 ' C ' ' A' ' 43' ' ' PHE . 11.2 mp -110.08 -89.84 0.48 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.525 -0.734 . . . . 0.0 109.364 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 62.35 8.7 2.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.555 -0.715 . . . . 0.0 109.151 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.87 -14.36 27.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.5 mt -85.58 117.73 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.984 -1.072 . . . . 0.0 109.582 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -126.57 -27.26 3.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.574 -0.704 . . . . 0.0 109.835 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 58.0 mp0 -110.95 149.1 31.14 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.333 -0.854 . . . . 0.0 110.593 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' NE2' ' NZ ' ' A' ' 29' ' ' LYS . 25.2 mm100 -60.56 -39.75 89.14 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.529 0.681 . . . . 0.0 109.486 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -54.51 -33.39 59.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.55 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.08 -35.09 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.047 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.3 t -70.42 -39.98 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 109.177 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.62 -44.59 93.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.47 -0.768 . . . . 0.0 110.276 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.8 -49.28 75.56 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.039 -1.038 . . . . 0.0 108.728 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.59 -41.58 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.64 -0.663 . . . . 0.0 110.402 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttt -60.23 -47.95 83.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.019 -1.05 . . . . 0.0 110.881 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -46.65 88.7 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.002 -1.061 . . . . 0.0 109.681 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.7 m -60.57 -39.14 86.92 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.463 -0.773 . . . . 0.0 110.305 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.74 -40.19 76.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.359 -0.838 . . . . 0.0 110.844 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -66.89 101.29 0.81 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.001 -1.062 . . . . 0.0 109.909 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.1 -40.63 90.31 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.365 -0.835 . . . . 0.0 109.513 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -96.62 -4.6 40.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.312 -0.868 . . . . 0.0 111.345 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.25 72.26 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 120.594 -1.317 . . . . 0.0 110.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -71.45 -5.67 34.61 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.958 -1.319 . . . . 0.0 111.215 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -19.42 44.96 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.883 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 54.6 mp0 -129.69 170.02 14.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.067 -1.255 . . . . 0.0 109.092 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.84 104.96 14.79 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.297 -0.877 . . . . 0.0 109.894 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -69.85 175.35 4.39 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.807 0.813 . . . . 0.0 110.93 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.46 -49.6 76.92 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.462 0.648 . . . . 0.0 109.435 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.515 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 28.3 mp0 -56.75 -54.19 49.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.065 -1.022 . . . . 0.0 108.78 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -42.84 94.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.078 -1.014 . . . . 0.0 108.857 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -48.55 -40.56 27.53 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -67.52 -30.92 70.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 109.186 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.91 -53.24 58.48 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 80' ' ' VAL . 64.7 t80 -53.7 -40.02 65.66 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.92 -43.19 98.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.4 t -69.71 -47.5 62.94 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.491 -0.755 . . . . 0.0 110.187 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -52.28 -44.83 65.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.944 -1.097 . . . . 0.0 109.449 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 76' ' ' PHE . 67.7 t -62.07 -29.57 46.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.1 m -82.03 -49.39 10.28 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.753 0.787 . . . . 0.0 109.159 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 m -72.07 -18.48 61.93 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.299 0.571 . . . . 0.0 109.798 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -69.83 -39.79 76.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.314 -0.866 . . . . 0.0 109.666 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.259 -0.901 . . . . 0.0 109.694 -179.848 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.66 -31.12 71.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.967 -1.083 . . . . 0.0 109.844 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.01 -32.95 72.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.954 -1.091 . . . . 0.0 109.419 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.56 -40.05 90.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.464 -0.772 . . . . 0.0 109.413 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.5 -40.18 95.17 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.043 -1.036 . . . . 0.0 109.815 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.77 76.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 0.0 109.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.2 ttm -61.85 -50.71 71.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 108.956 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.97 -40.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.424 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.992 -1.068 . . . . 0.0 109.233 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.95 -49.59 77.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.972 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.1 -50.02 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.028 -1.045 . . . . 0.0 109.078 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.496 -0.882 . . . . 0.0 108.742 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 9' ' ' ALA . 54.0 t -70.06 -42.28 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.759 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.75 -55.9 25.25 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.673 -1.267 . . . . 0.0 111.142 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -59.45 -39.96 85.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 111.556 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.9 -36.47 78.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.578 -1.326 . . . . 0.0 109.807 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.439 ' CE2' ' OE2' ' B' ' 39' ' ' GLU . 14.1 m-85 -84.05 -42.8 15.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.285 -0.885 . . . . 0.0 110.953 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -70.37 -21.37 62.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.362 -1.461 . . . . 0.0 110.023 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.87 21.27 11.76 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -87.44 -52.86 5.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.025 -1.279 . . . . 0.0 109.392 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -148.05 160.06 43.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.313 -0.867 . . . . 0.0 109.047 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.29 -158.52 38.03 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 108.949 -1.661 . . . . 0.0 108.949 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.728 ' H ' ' NZ ' ' B' ' 28' ' ' LYS . 19.9 t0 -78.26 166.75 22.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.978 -1.307 . . . . 0.0 108.218 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.1 -39.67 90.83 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.266 -0.896 . . . . 0.0 111.531 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -112.08 1.03 16.13 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.834 -1.166 . . . . 0.0 112.966 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 126.76 52.69 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.574 -1.329 . . . . 0.0 109.635 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 87.6 mt -99.32 131.26 45.46 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.728 ' NZ ' ' H ' ' B' ' 23' ' ' ASP . 13.9 mptt -93.69 166.67 12.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.617 -0.677 . . . . 0.0 109.474 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' NZ ' ' NE2' ' B' ' 50' ' ' GLN . 38.9 tttm -58.81 -49.5 77.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 110.24 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.1 -40.06 88.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.8 -1.188 . . . . 0.0 109.805 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -70.03 -38.32 75.86 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.983 0.897 . . . . 0.0 108.752 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.67 -45.29 94.69 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -60.5 -40.08 90.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.449 -0.782 . . . . 0.0 110.281 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.18 -46.05 88.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.369 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.07 -50.09 75.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.169 -0.957 . . . . 0.0 109.803 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -60.46 -50.05 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.604 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -61.75 -39.94 93.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.146 -0.971 . . . . 0.0 110.797 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -76.66 -56.25 4.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.179 -0.951 . . . . 0.0 111.272 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.439 ' OE2' ' CE2' ' B' ' 17' ' ' TYR . 95.9 mt-10 -86.81 -75.0 0.41 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.879 -1.138 . . . . 0.0 112.135 -177.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' B' ' 36' ' ' ILE . 56.3 tp -82.6 96.71 8.17 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.004 -1.06 . . . . 0.0 110.741 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 36' ' ' ILE . 12.1 m -147.96 -33.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -61.77 -13.15 21.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.488 -0.757 . . . . 0.0 110.58 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.491 ' C ' HD12 ' B' ' 44' ' ' LEU . 92.8 m-85 -111.42 -13.03 13.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.132 -0.98 . . . . 0.0 109.503 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.491 HD12 ' C ' ' B' ' 43' ' ' PHE . 11.2 mp -110.01 -89.99 0.48 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.461 -0.774 . . . . 0.0 109.201 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 62.31 8.59 2.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.447 -0.783 . . . . 0.0 109.035 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -93.06 -14.26 27.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -85.15 116.84 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.937 -1.102 . . . . 0.0 109.789 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -125.74 -27.71 3.33 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.646 -0.659 . . . . 0.0 110.144 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.6 mp0 -111.27 149.18 31.41 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.361 -0.837 . . . . 0.0 110.744 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.407 ' NE2' ' NZ ' ' B' ' 29' ' ' LYS . 24.5 mm100 -60.26 -39.77 87.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.702 -0.624 . . . . 0.0 109.745 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -54.91 -32.85 61.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.87 . . . . 0.0 110.344 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.35 -34.64 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.009 -1.057 . . . . 0.0 109.081 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.95 -39.6 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.729 . . . . 0.0 109.183 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.85 -44.56 94.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.293 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -63.21 -49.09 75.58 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 108.598 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.49 -42.02 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.648 -0.657 . . . . 0.0 110.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.9 ttt -60.18 -47.72 84.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.843 -1.161 . . . . 0.0 111.056 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -46.88 87.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.124 -0.985 . . . . 0.0 109.651 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -60.83 -38.54 85.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.549 -0.719 . . . . 0.0 110.353 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.9 -40.42 75.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.882 . . . . 0.0 110.639 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.26 101.93 0.99 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.811 -1.18 . . . . 0.0 109.686 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.06 -40.25 88.83 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.514 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -97.2 -4.71 38.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 111.364 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.31 29.96 71.69 Favored Glycine 0 N--CA 1.493 2.479 0 O-C-N 120.551 -1.343 . . . . 0.0 110.034 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -71.2 -5.87 35.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.964 -1.315 . . . . 0.0 110.967 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.39 -17.0 54.68 Favored Glycine 0 N--CA 1.494 2.526 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.951 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 53.8 mp0 -130.54 169.55 15.42 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.091 -1.241 . . . . 0.0 108.935 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.81 104.78 14.57 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.367 -0.833 . . . . 0.0 109.857 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.12 175.35 4.59 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.889 0.852 . . . . 0.0 111.087 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.1 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.532 0.682 . . . . 0.0 109.741 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.517 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 28.3 mp0 -56.81 -54.26 48.45 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.094 -1.004 . . . . 0.0 108.694 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.56 94.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.999 -1.063 . . . . 0.0 108.823 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.73 -40.67 29.37 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.3 tpt -67.28 -31.55 71.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.146 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.25 59.17 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 80' ' ' VAL . 67.6 t80 -53.53 -40.03 65.15 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.35 -43.13 98.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 30.3 t -69.29 -47.64 63.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.411 -0.806 . . . . 0.0 110.267 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.9 ttt -52.72 -44.39 66.32 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.109 -0.995 . . . . 0.0 109.32 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 76' ' ' PHE . 87.6 t -62.36 -29.58 47.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 52.4 m -82.1 -49.7 9.89 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.68 0.752 . . . . 0.0 109.007 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -71.87 -18.21 62.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.714 -0.616 . . . . 0.0 109.792 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -70.01 -40.0 75.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.426 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.496 1.828 0 O-C-N 121.226 -0.921 . . . . 0.0 109.784 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.23 -36.51 73.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 109.77 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -70.62 -34.76 72.46 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 109.776 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.64 -44.95 94.99 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -60.76 -39.72 89.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.62 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.88 88.13 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 108.835 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.77 -51.18 68.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.463 -0.773 . . . . 0.0 109.759 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.12 -39.57 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.382 -0.824 . . . . 0.0 109.627 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.88 -41.86 92.5 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.131 -0.981 . . . . 0.0 109.007 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.19 -47.11 87.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.902 . . . . 0.0 110.04 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.8 -51.32 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.748 -1.22 . . . . 0.0 110.15 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -58.51 -39.73 80.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 9' ' ' ALA . 55.2 t -68.6 -39.95 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.393 -0.817 . . . . 0.0 109.247 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -60.94 -57.48 12.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.31 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.97 -43.61 94.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.159 -0.963 . . . . 0.0 112.076 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.66 -40.99 98.22 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.225 -1.547 . . . . 0.0 110.22 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.496 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.6 t80 -69.35 -41.56 76.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 109.382 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -69.9 -17.2 63.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.83 19.42 20.97 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -64.21 -40.1 95.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.763 -1.434 . . . . 0.0 108.126 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 23' ' ' ASP . 86.5 tt0 -119.63 153.29 35.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.9 -19.16 0.06 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLU . 95.3 m-20 -90.96 87.19 6.52 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.85 -1.382 . . . . 0.0 109.709 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -88.08 149.91 23.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.402 -0.812 . . . . 0.0 109.54 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 17.0 t60 75.69 33.94 0.61 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.724 0.774 . . . . 0.0 109.179 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' C ' HD22 ' A' ' 27' ' ' LEU . 32.6 tttm -152.54 111.64 3.84 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -98.35 114.52 26.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 29' ' ' LYS . 57.3 tttm -94.81 165.96 12.22 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 28' ' ' LYS . 23.8 pttm -59.75 -40.0 86.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.877 -1.139 . . . . 0.0 109.819 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.7 p -64.42 -39.19 93.37 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.69 -31.92 71.36 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.3 tp -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.466 0.651 . . . . 0.0 109.421 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -62.55 -40.53 97.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.354 -0.841 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.84 -42.01 86.47 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.921 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 52.2 tp -60.14 -48.41 81.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.358 -0.839 . . . . 0.0 109.677 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.73 -46.9 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.038 -1.039 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -61.12 -43.16 99.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.228 -0.92 . . . . 0.0 110.989 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -87.19 -26.14 23.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.992 -1.067 . . . . 0.0 111.276 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -87.96 -75.11 0.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.779 -1.201 . . . . 0.0 110.404 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.9 mt -99.37 121.09 40.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.15 -0.969 . . . . 0.0 110.513 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -124.94 -56.17 1.57 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -72.38 -20.44 61.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.412 -0.805 . . . . 0.0 109.616 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -101.1 0.13 37.27 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.481 -0.762 . . . . 0.0 109.759 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.497 HD13 ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -139.28 139.93 37.49 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.086 -1.009 . . . . 0.0 109.643 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.497 ' H ' HD13 ' A' ' 44' ' ' LEU . 20.4 pt-20 -75.9 148.36 38.31 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.95 137.65 41.77 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.346 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.9 mt -111.06 120.13 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.459 -0.775 . . . . 0.0 109.219 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -97.08 -21.65 17.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.333 -0.854 . . . . 0.0 110.021 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 53.1 mp0 -100.35 129.82 46.38 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.014 -1.054 . . . . 0.0 110.161 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -69.53 -31.52 69.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.549 -0.72 . . . . 0.0 110.034 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.53 -29.65 68.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.168 -0.958 . . . . 0.0 109.169 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.9 t -70.01 -36.34 68.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.84 -40.69 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.73 -40.29 91.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.755 . . . . 0.0 109.495 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.53 -42.03 95.63 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.5 -40.56 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 94.5 mmm -65.19 -41.47 94.53 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.725 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.46 -46.63 89.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 108.824 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -66.19 -39.8 89.96 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.633 0.73 . . . . 0.0 109.242 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.08 -40.3 65.14 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -79.11 48.69 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.871 -1.143 . . . . 0.0 110.816 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -38.13 81.77 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 19.9 p-10 -59.98 -32.7 71.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.684 -0.635 . . . . 0.0 109.815 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 96.05 83.64 1.66 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 67' ' ' GLU . 97.9 m-20 -142.32 -29.23 0.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.627 -0.925 . . . . 0.0 110.486 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.4 -9.91 13.03 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 107.891 -2.083 . . . . 0.0 107.891 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' A' ' 65' ' ' ASP . 99.0 mt-10 -134.05 161.19 35.51 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.5 t -109.14 109.06 19.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.77 -1.206 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -76.82 -177.82 4.54 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.389 1.09 . . . . 0.0 111.357 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.53 -41.27 94.11 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.705 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.91 -57.46 12.76 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -60.53 -39.95 89.73 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.018 . . . . 0.0 109.338 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 77' ' ' VAL . 64.5 t80 -47.28 -40.52 16.94 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -69.93 -31.9 69.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.477 -0.764 . . . . 0.0 109.288 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.49 -59.83 4.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.091 -1.005 . . . . 0.0 109.369 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -54.15 -40.12 67.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 73' ' ' PHE . 54.7 t -60.24 -45.27 96.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.3 p -67.04 -43.91 81.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.262 -0.898 . . . . 0.0 109.937 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.7 ttt -53.68 -41.31 66.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.084 -1.01 . . . . 0.0 108.66 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.52 -30.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -80.06 -45.23 18.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.0 m -70.21 -16.15 63.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.641 -0.662 . . . . 0.0 109.958 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.3 69.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.039 -1.038 . . . . 0.0 108.987 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.73 -36.68 72.38 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.086 -1.009 . . . . 0.0 109.711 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.542 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -71.27 -34.07 70.35 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.09 -1.006 . . . . 0.0 109.779 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.21 -45.06 93.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.903 -1.123 . . . . 0.0 110.186 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.53 -40.08 90.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.947 . . . . 0.0 109.595 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.95 91.28 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.365 -0.834 . . . . 0.0 108.99 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.2 mtp -64.03 -50.68 67.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 0.0 109.479 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.94 -40.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 109.321 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.66 91.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.226 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.13 -46.89 88.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.154 -0.967 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.85 -51.23 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 120.801 -1.187 . . . . 0.0 109.794 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -58.31 -40.12 81.2 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.412 HG11 HD23 ' A' ' 3' ' ' LEU . 53.9 t -68.24 -40.08 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.434 -0.791 . . . . 0.0 109.322 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.49 -57.84 11.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.158 -0.964 . . . . 0.0 110.55 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -60.0 -43.27 95.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 111.987 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -64.26 -40.8 96.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.309 -1.494 . . . . 0.0 110.013 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.486 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 68.5 t80 -68.3 -42.27 79.68 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.551 -0.859 . . . . 0.0 109.287 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p -69.81 -17.4 63.4 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.64 -0.663 . . . . 0.0 109.697 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.35 19.75 21.39 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.99 -40.02 95.45 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.763 -1.434 . . . . 0.0 107.973 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 23' ' ' ASP . 86.6 tt0 -118.83 153.35 34.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.71 -19.49 0.11 Allowed Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' B' ' 21' ' ' GLU . 94.3 m-20 -90.03 86.59 6.62 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.797 -1.414 . . . . 0.0 109.949 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 0.4 OUTLIER -87.68 150.41 23.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 109.819 179.701 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 17.2 t60 75.99 32.83 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.711 0.767 . . . . 0.0 109.137 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.442 ' C ' HD22 ' B' ' 27' ' ' LEU . 29.9 tttm -151.16 111.54 4.17 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.539 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.5 mm? -98.8 114.99 27.8 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.02 -1.05 . . . . 0.0 109.534 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.471 ' NZ ' ' HZ2' ' B' ' 29' ' ' LYS . 58.7 tttm -95.14 166.09 12.09 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HZ2' ' NZ ' ' B' ' 28' ' ' LYS . 24.1 pttm -59.87 -39.93 86.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.923 -1.111 . . . . 0.0 109.826 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -65.16 -38.17 89.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.991 -1.068 . . . . 0.0 108.313 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.99 -31.69 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.7 tp -70.7 -40.32 72.95 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.497 0.665 . . . . 0.0 109.385 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.52 -40.56 97.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 109.157 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.99 -41.96 85.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.279 -0.888 . . . . 0.0 108.84 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.486 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 56.3 tp -59.98 -48.58 81.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.444 -0.785 . . . . 0.0 109.583 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.25 -46.78 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.096 -1.002 . . . . 0.0 110.263 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.82 -43.63 97.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.049 -1.032 . . . . 0.0 110.765 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -86.71 -27.39 23.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.165 -0.959 . . . . 0.0 111.502 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -86.83 -74.8 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.875 -1.141 . . . . 0.0 110.361 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.0 121.62 41.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -125.14 -56.06 1.55 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -72.31 -20.03 61.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.435 -0.791 . . . . 0.0 109.461 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -101.31 0.6 37.49 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.399 -0.813 . . . . 0.0 110.0 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.556 HD13 ' H ' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -139.88 140.42 36.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.29 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.556 ' H ' HD13 ' B' ' 44' ' ' LEU . 20.2 pt-20 -76.47 147.88 37.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 108.752 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -73.72 138.35 44.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.189 -0.945 . . . . 0.0 109.208 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -111.81 119.89 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.99 -20.6 17.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 54.3 mp0 -101.07 128.79 46.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.039 -1.038 . . . . 0.0 110.218 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.93 -32.36 71.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.548 -0.72 . . . . 0.0 110.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.71 -29.53 66.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.101 -0.999 . . . . 0.0 109.264 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.7 t -70.02 -36.75 70.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.96 -40.18 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -61.06 -39.98 91.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.845 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.15 -42.62 95.29 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.3 -40.72 84.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.78 -41.11 96.1 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.657 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.77 -46.33 90.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -73.54 -40.67 63.81 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -79.44 49.7 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.794 -1.191 . . . . 0.0 110.744 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.96 -38.35 82.22 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 20.3 p-10 -60.0 -33.03 71.42 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.377 0.608 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.454 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 96.76 83.79 1.69 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' B' ' 67' ' ' GLU . 98.7 m-20 -142.64 -28.88 0.58 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.769 -0.842 . . . . 0.0 110.53 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.65 10.41 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -133.6 161.6 34.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.0 t -109.33 109.44 20.33 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.746 -1.221 . . . . 0.0 109.38 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -77.14 -177.67 4.64 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 122.304 1.049 . . . . 0.0 111.444 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.49 -41.79 94.97 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.636 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.83 -57.42 12.98 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.9 mt-10 -60.38 -40.02 89.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.988 -1.07 . . . . 0.0 109.355 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.548 ' O ' HG23 ' B' ' 77' ' ' VAL . 64.4 t80 -46.99 -40.77 15.13 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.0 -31.81 69.68 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.47 -0.769 . . . . 0.0 109.252 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -63.71 -59.78 4.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.965 -1.084 . . . . 0.0 109.496 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.87 -39.92 66.12 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 73' ' ' PHE . 53.3 t -60.84 -44.62 98.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.407 ' O ' ' N ' ' B' ' 81' ' ' THR . 83.1 p -67.52 -43.79 79.95 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.354 -0.841 . . . . 0.0 109.797 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.8 ttt -52.87 -42.39 65.2 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 108.852 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.24 -30.14 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 78' ' ' SER . 20.4 m -80.23 -44.55 19.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.402 ' N ' ' O ' ' B' ' 78' ' ' SER . 18.0 m -70.54 -15.9 62.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.616 -0.677 . . . . 0.0 109.793 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.45 68.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.088 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.483 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.307 0.575 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.29 -32.67 74.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.91 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.94 -36.26 75.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.265 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.91 -40.4 97.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.95 -38.51 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.825 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.968 . . . . 0.0 109.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.8 mtp -66.18 -48.65 70.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.86 -37.44 71.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.646 -0.659 . . . . 0.0 109.323 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.96 -41.01 90.98 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.97 -1.081 . . . . 0.0 109.284 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.12 -46.38 89.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.155 -0.966 . . . . 0.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.01 -49.81 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.902 -1.124 . . . . 0.0 109.344 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.8 -40.04 86.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 9' ' ' ALA . 54.4 t -69.93 -40.35 78.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.821 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.29 -56.59 15.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.596 -1.315 . . . . 0.0 111.025 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.132 -0.98 . . . . 0.0 111.57 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -67.54 -39.98 85.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.19 -1.569 . . . . 0.0 109.69 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -76.42 -44.21 36.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.172 -0.955 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -73.22 -20.09 60.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.584 -1.322 . . . . 0.0 109.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.81 19.02 23.06 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.7 -44.74 18.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.925 -1.338 . . . . 0.0 109.04 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 15.5 tm-20 -169.33 152.78 5.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.162 -0.961 . . . . 0.0 109.302 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 86.72 90.33 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 48.85 -140.29 0.71 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -1.131 . . . . 0.0 108.976 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -131.17 -39.0 1.2 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.254 -0.904 . . . . 0.0 110.266 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -113.54 12.51 18.6 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.298 -0.876 . . . . 0.0 110.944 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -105.84 121.44 44.07 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 108.942 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.26 124.57 42.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.294 -0.879 . . . . 0.0 109.852 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -90.66 162.58 14.88 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -55.96 -39.01 71.14 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -60.1 -36.47 77.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.095 -1.003 . . . . 0.0 109.202 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.71 -31.24 71.05 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.418 -0.801 . . . . 0.0 109.189 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 32' ' ' LEU . 83.6 mt -70.03 -39.59 75.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.483 -0.761 . . . . 0.0 109.63 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.61 -43.99 97.43 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.317 -0.864 . . . . 0.0 110.532 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.04 -44.48 69.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.985 -1.072 . . . . 0.0 109.943 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.488 HD11 ' OE2' ' A' ' 39' ' ' GLU . 36.3 tp -60.03 -49.68 76.71 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.42 -0.8 . . . . 0.0 108.966 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 40' ' ' LEU . 83.2 mt -60.04 -48.92 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.588 -0.695 . . . . 0.0 110.357 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -60.63 -40.02 90.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 110.595 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.29 -42.39 45.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.089 -1.007 . . . . 0.0 110.27 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.488 ' OE2' HD11 ' A' ' 35' ' ' LEU . 98.9 mt-10 -88.45 -75.15 0.43 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.367 -0.833 . . . . 0.0 110.994 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 mt -92.43 102.72 15.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.071 -1.018 . . . . 0.0 110.333 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p -140.48 -49.57 0.45 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -83.36 0.88 44.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.43 -16.19 11.98 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.1 tp -133.59 154.99 50.45 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.09 140.55 56.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.282 -0.887 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.18 148.8 51.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 109.83 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 mm -72.04 128.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 108.941 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -94.64 -72.23 0.63 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.262 -0.899 . . . . 0.0 110.332 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -109.99 152.59 25.7 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.403 -0.811 . . . . 0.0 110.205 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.0 tt0 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.398 -0.814 . . . . 0.0 109.054 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.25 -36.54 9.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.17 -0.956 . . . . 0.0 109.597 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.56 -34.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' GLN . 62.5 t -70.83 -41.61 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.613 -0.68 . . . . 0.0 109.534 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.08 -40.24 88.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.269 -0.894 . . . . 0.0 109.539 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.27 -49.4 77.22 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.27 -40.93 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.04 -45.37 92.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.274 -0.891 . . . . 0.0 108.887 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.13 -49.28 78.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.408 -0.807 . . . . 0.0 109.137 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -68.94 -39.99 79.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.537 -0.727 . . . . 0.0 109.52 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.8 -40.03 76.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.333 -0.854 . . . . 0.0 109.552 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 49.2 t0 -66.43 102.48 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.185 -0.947 . . . . 0.0 109.599 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.92 -40.86 98.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.378 -0.826 . . . . 0.0 110.641 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 17.3 p-10 -98.19 -2.74 39.1 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.145 -0.972 . . . . 0.0 110.891 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 27.88 73.29 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.684 -1.246 . . . . 0.0 110.101 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 35.6 p-10 -73.38 -5.41 39.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.128 -1.219 . . . . 0.0 110.362 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.8 76.75 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 68' ' ' CYS . 15.7 tm-20 -157.48 158.36 35.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 67' ' ' GLU . 79.2 m -113.95 104.47 12.19 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.928 -1.107 . . . . 0.0 109.397 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 12.9 t70 -71.78 175.64 5.57 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 122.224 1.011 . . . . 0.0 111.324 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.465 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.5 t80 -60.97 -45.64 93.97 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.684 0.754 . . . . 0.0 109.129 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.453 HE22 HG21 ' B' ' 82' ' ' THR . 20.4 mm100 -59.93 -55.16 37.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 109.098 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.9 mt-10 -59.92 -42.05 93.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.76 -1.212 . . . . 0.0 108.602 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -46.8 -39.04 11.09 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 tpt -67.52 -32.3 73.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.2 -54.99 33.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -52.4 -39.94 61.52 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.63 -41.05 86.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.2 p -71.82 -48.05 48.98 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.532 -0.73 . . . . 0.0 110.307 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -50.79 -39.96 54.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.139 -0.976 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.85 -27.83 39.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -79.49 -47.33 15.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.506 HG21 HE22 ' B' ' 71' ' ' GLN . 40.2 p -69.94 -13.78 62.41 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.404 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.86 -47.17 31.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 108.956 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.533 -0.73 . . . . 0.0 109.339 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.387 0.613 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.7 -32.25 73.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.332 -0.855 . . . . 0.0 109.836 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.03 -36.46 75.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.08 -1.012 . . . . 0.0 110.271 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.72 -40.69 97.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.251 -0.906 . . . . 0.0 109.585 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.72 -38.41 91.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 109.773 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.13 90.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -66.23 -48.49 70.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.406 -0.809 . . . . 0.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -60.08 -37.29 72.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.665 -0.647 . . . . 0.0 109.275 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.95 90.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.983 -1.073 . . . . 0.0 109.304 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.16 -46.49 89.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.202 -0.936 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -59.98 -49.97 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 120.918 -1.114 . . . . 0.0 109.232 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.53 -39.98 85.7 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.89 -40.23 78.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.393 -0.817 . . . . 0.0 109.821 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.54 -56.51 15.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.302 . . . . 0.0 111.005 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.174 -0.954 . . . . 0.0 111.508 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -67.49 -40.0 85.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.189 -1.569 . . . . 0.0 109.747 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.29 -44.21 38.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.327 -0.858 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.6 p -73.41 -19.94 60.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.618 -1.301 . . . . 0.0 109.897 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.59 18.88 22.58 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -80.54 -44.65 18.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.882 -1.364 . . . . 0.0 109.216 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.485 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.5 tm-20 -169.46 152.87 4.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.317 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.485 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 86.56 90.34 0.96 Allowed Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 48.82 -140.09 0.72 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.195 -1.179 . . . . 0.0 109.038 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -131.31 -39.07 1.17 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.123 -0.986 . . . . 0.0 110.256 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -113.62 12.38 18.47 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.335 -0.853 . . . . 0.0 110.956 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -105.81 121.3 43.77 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.039 -1.038 . . . . 0.0 109.004 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.16 124.41 42.71 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.303 -0.873 . . . . 0.0 109.873 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -90.51 162.48 15.02 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -55.78 -39.22 70.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.004 -1.06 . . . . 0.0 109.23 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 97.1 p -60.04 -36.14 76.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.947 -1.096 . . . . 0.0 109.198 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.04 -31.19 70.68 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.327 -0.858 . . . . 0.0 109.112 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.97 -39.52 75.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.505 -0.747 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.9 -43.93 97.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 110.445 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -69.93 -44.53 69.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.065 -1.022 . . . . 0.0 110.005 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.494 HD11 ' OE2' ' B' ' 39' ' ' GLU . 37.9 tp -60.04 -49.51 77.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.344 -0.847 . . . . 0.0 109.092 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.432 ' O ' ' O ' ' B' ' 40' ' ' LEU . 84.9 mt -60.13 -49.02 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.266 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -60.66 -40.07 90.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.111 -0.993 . . . . 0.0 110.568 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -76.2 -42.23 46.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.494 ' OE2' HD11 ' B' ' 35' ' ' LEU . 98.9 mt-10 -88.74 -75.17 0.44 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.322 -0.861 . . . . 0.0 110.866 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.6 mt -92.5 102.72 15.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.302 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.5 p -140.5 -49.52 0.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -83.37 0.92 43.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.636 -0.665 . . . . 0.0 109.902 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.46 -16.08 11.97 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -133.63 154.87 50.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 109.289 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -59.98 140.37 56.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.341 -0.849 . . . . 0.0 109.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.02 148.56 51.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.312 -0.867 . . . . 0.0 109.898 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.81 128.0 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.908 . . . . 0.0 109.087 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.76 -72.0 0.64 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.277 -0.889 . . . . 0.0 110.266 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -109.97 152.55 25.73 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.437 -0.789 . . . . 0.0 110.297 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.1 tt0 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.381 -0.824 . . . . 0.0 108.962 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.22 -36.76 9.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 109.569 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.7 t -67.42 -34.34 68.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 108.37 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' GLN . 53.0 t -70.83 -41.59 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.687 -0.633 . . . . 0.0 109.543 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -59.99 -40.33 88.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.666 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.22 -49.55 76.69 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.05 -40.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 tpt -63.08 -45.5 91.83 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.295 -0.878 . . . . 0.0 108.818 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.97 -49.62 76.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.005 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.82 -39.91 79.76 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.602 -0.686 . . . . 0.0 109.54 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.67 -40.43 76.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.543 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 49.3 t0 -66.25 102.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.026 -1.046 . . . . 0.0 109.646 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.77 -40.96 98.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.672 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 17.2 p-10 -98.29 -2.51 39.33 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.045 -1.034 . . . . 0.0 110.911 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 27.73 73.06 Favored Glycine 0 N--CA 1.494 2.529 0 C-N-CA 119.689 -1.243 . . . . 0.0 110.224 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 35.1 p-10 -73.05 -5.65 40.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.157 -1.202 . . . . 0.0 110.244 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.14 24.6 75.34 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 68' ' ' CYS . 15.7 tm-20 -158.07 158.09 34.12 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 67' ' ' GLU . 82.0 m -113.63 104.52 12.32 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.856 -1.153 . . . . 0.0 109.403 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.0 t70 -72.05 175.66 5.75 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.977 0.894 . . . . 0.0 111.319 -178.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 62.3 t80 -60.71 -45.84 92.68 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.698 0.761 . . . . 0.0 109.198 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.506 HE22 HG21 ' A' ' 82' ' ' THR . 20.5 mm100 -59.82 -55.1 38.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.296 -0.877 . . . . 0.0 109.211 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -60.08 -41.96 93.58 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.843 -1.16 . . . . 0.0 108.523 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -46.89 -39.04 11.39 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.3 tpt -67.5 -32.22 72.9 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.34 -54.96 32.94 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -52.2 -39.98 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -41.19 87.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.472 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.3 p -71.79 -47.98 49.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.467 -0.771 . . . . 0.0 110.221 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.5 ttt -50.74 -40.05 53.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 109.069 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.78 -27.75 39.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.472 ' N ' ' O ' ' B' ' 78' ' ' SER . 22.0 m -79.52 -47.55 15.37 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.453 HG21 HE22 ' A' ' 71' ' ' GLN . 41.5 p -69.85 -13.68 62.38 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.519 -0.738 . . . . 0.0 109.452 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.62 -47.45 32.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.284 -0.885 . . . . 0.0 108.911 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.616 -0.678 . . . . 0.0 109.416 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -36.73 77.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.979 . . . . 0.0 110.3 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.89 -35.82 77.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.797 -1.189 . . . . 0.0 110.075 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.23 -40.02 92.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.0 -35.39 74.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.599 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.91 75.84 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.279 -0.888 . . . . 0.0 109.63 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.69 -41.34 83.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.034 -1.041 . . . . 0.0 109.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.01 -39.97 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.907 . . . . 0.0 109.484 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.1 85.37 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.116 -0.99 . . . . 0.0 109.668 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -60.04 -46.15 90.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.988 -1.07 . . . . 0.0 109.64 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.04 -51.4 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.917 -1.115 . . . . 0.0 109.675 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.5 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 83.2 m-20 -64.94 -41.8 95.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.173 -0.955 . . . . 0.0 109.646 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.94 -43.83 79.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.257 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.31 -54.36 46.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 110.765 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.93 -41.46 91.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.957 . . . . 0.0 112.154 -176.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.502 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 1.1 mp0 -69.83 -40.36 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.039 -1.663 . . . . 0.0 109.661 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -72.81 -44.32 61.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.2 -0.938 . . . . 0.0 109.839 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.7 t -71.39 -22.74 61.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.017 -1.052 . . . . 0.0 110.739 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.06 20.32 33.69 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -70.41 -39.56 74.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.978 -1.307 . . . . 0.0 109.327 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.9 tt0 -165.62 160.94 18.0 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.09 175.62 40.83 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 89.0 m-20 -49.94 -99.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.993 . . . . 0.0 109.83 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 87.9 tttt -173.15 127.55 0.45 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.178 -0.952 . . . . 0.0 109.912 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 10.7 t60 84.39 0.38 0.91 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 122.038 -0.414 . . . . 0.0 110.157 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -110.1 119.48 39.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.33 -0.856 . . . . 0.0 109.314 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.9 mp -96.27 120.88 37.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.999 -1.063 . . . . 0.0 109.472 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -91.64 162.0 14.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.494 0.664 . . . . 0.0 110.152 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HZ1' ' N ' ' A' ' 54' ' ' ASP . 38.0 tttp -52.21 -47.61 65.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.541 -0.725 . . . . 0.0 109.636 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.186 -0.946 . . . . 0.0 109.791 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.4 mt-10 -69.69 -39.74 76.78 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.922 0.868 . . . . 0.0 108.74 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.97 -48.92 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.366 0.603 . . . . 0.0 109.815 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.29 -40.07 89.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.339 -0.851 . . . . 0.0 110.602 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.0 -45.6 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD11 ' OE1' ' A' ' 39' ' ' GLU . 59.2 tp -60.02 -49.51 77.39 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.321 -0.862 . . . . 0.0 110.374 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -47.12 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 110.206 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -75.06 -23.46 58.07 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.341 -0.85 . . . . 0.0 110.769 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -91.39 -0.46 57.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.849 -1.157 . . . . 0.0 111.615 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.9 mt-10 -147.04 -41.74 0.18 Allowed 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.593 -1.317 . . . . 0.0 111.169 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -90.18 0.8 57.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.013 -1.055 . . . . 0.0 110.714 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.3 t -60.02 -39.45 85.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.873 -1.142 . . . . 0.0 108.851 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -67.56 -21.61 65.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.406 -0.809 . . . . 0.0 110.317 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -103.19 -18.27 14.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.085 -1.009 . . . . 0.0 109.11 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -138.84 135.16 34.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.394 -0.816 . . . . 0.0 109.64 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.39 86.65 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 54.0 tt0 -171.7 -130.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.355 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.2 mt 39.96 59.83 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 109.272 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -93.96 -5.78 46.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.351 -0.843 . . . . 0.0 110.202 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.04 136.47 54.55 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.352 -0.842 . . . . 0.0 110.049 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.46 -40.05 89.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.476 -0.765 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -53.71 -29.52 39.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 109.783 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.45 -37.49 77.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.205 -0.934 . . . . 0.0 108.922 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.33 -41.25 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.565 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 61.5 t0 -59.96 -43.58 94.96 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.933 . . . . 0.0 110.372 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.24 -40.78 95.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 108.976 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.88 -40.97 86.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.71 -0.619 . . . . 0.0 109.864 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 35.1 ttm -60.01 -49.52 77.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.03 -42.08 93.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.171 -0.956 . . . . 0.0 110.278 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.342 -0.848 . . . . 0.0 109.93 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.49 -39.95 70.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.51 -0.744 . . . . 0.0 110.596 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.92 102.2 2.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.98 -1.075 . . . . 0.0 110.518 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.11 -40.74 94.92 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.428 -0.795 . . . . 0.0 109.218 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -87.88 -14.04 40.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 110.485 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.95 30.02 70.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -74.27 -2.8 26.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -1.212 . . . . 0.0 110.119 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 5.06 89.62 Favored Glycine 0 N--CA 1.492 2.368 0 C-N-CA 119.803 -1.189 . . . . 0.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -140.1 159.99 40.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.075 -1.25 . . . . 0.0 108.158 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.7 t -102.06 106.46 17.35 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.932 -1.105 . . . . 0.0 109.299 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -73.32 178.95 4.2 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.885 0.85 . . . . 0.0 110.821 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 56.9 t80 -61.2 -49.2 78.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.574 0.702 . . . . 0.0 109.691 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.48 -54.05 50.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.057 -1.027 . . . . 0.0 108.885 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -59.99 -42.94 95.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.936 -1.103 . . . . 0.0 108.708 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -50.18 -39.96 45.43 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -68.66 -32.23 71.92 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' SER . . . -64.24 -57.87 8.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 108.838 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.84 -35.48 10.32 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.96 -41.65 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 75' ' ' ALA . 52.5 p -73.2 -48.65 33.31 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' SER . 46.6 ttm -43.73 -40.04 4.04 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 81' ' ' THR . 26.5 t -55.67 -84.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.431 ' N ' HG12 ' A' ' 80' ' ' VAL . 78.9 p -42.18 -52.77 4.27 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.747 -1.221 . . . . 0.0 113.066 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.4 p -60.03 -31.99 70.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.223 -1.548 . . . . 0.0 110.399 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.45 -35.88 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.118 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 93.1 m . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.611 -0.681 . . . . 0.0 109.58 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.02 -36.76 77.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.128 -0.982 . . . . 0.0 110.48 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.13 -35.56 76.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.775 -1.203 . . . . 0.0 109.909 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.27 -40.02 92.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.092 -1.005 . . . . 0.0 109.08 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.03 -35.07 74.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.719 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.331 -0.856 . . . . 0.0 109.69 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.94 -41.36 82.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.092 -1.005 . . . . 0.0 110.12 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.93 -40.08 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.315 -0.865 . . . . 0.0 109.477 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.17 85.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.071 -1.018 . . . . 0.0 109.607 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.09 -46.09 90.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.966 -1.084 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.04 -51.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.659 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.513 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 83.2 m-20 -64.99 -41.79 95.1 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 0.0 109.66 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.0 t -70.02 -43.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -60.37 -54.25 47.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 110.724 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.01 -41.23 91.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.113 -0.992 . . . . 0.0 112.239 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.1 mp0 -70.02 -40.19 75.36 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.068 -1.645 . . . . 0.0 109.742 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -72.97 -44.09 61.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 109.833 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.9 t -71.43 -22.92 61.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.22 20.43 33.6 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -70.52 -39.27 74.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.324 . . . . 0.0 109.35 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.46 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 87.9 tt0 -165.58 160.77 17.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 109.389 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 92.95 175.82 41.03 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLY . 88.9 m-20 -50.03 -99.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.466 -1.02 . . . . 0.0 109.824 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 85.8 tttt -173.5 127.65 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.889 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.528 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 10.6 t60 84.3 0.49 0.93 Allowed 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 120.979 0.419 . . . . 0.0 110.176 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -110.17 119.27 38.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.331 -0.856 . . . . 0.0 109.314 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.499 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.9 mp -96.31 120.73 37.14 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.929 -1.107 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -91.69 162.24 14.57 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.512 0.672 . . . . 0.0 110.301 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.571 ' HZ1' ' N ' ' B' ' 54' ' ' ASP . 39.2 tttp -52.16 -47.85 65.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 109.513 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.171 -0.956 . . . . 0.0 109.684 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 98.9 mt-10 -69.55 -39.85 77.18 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.932 0.872 . . . . 0.0 108.683 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.99 -48.83 80.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.366 0.603 . . . . 0.0 109.906 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.34 -40.23 89.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.338 -0.851 . . . . 0.0 110.444 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.04 -45.67 92.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.96 -49.52 77.35 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.43 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.02 -47.05 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.855 . . . . 0.0 110.328 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -75.14 -23.61 57.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.177 -0.952 . . . . 0.0 110.733 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -91.21 -0.58 57.72 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.856 -1.153 . . . . 0.0 111.673 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -146.99 -41.82 0.18 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.533 -1.354 . . . . 0.0 111.131 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.555 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.2 mp -90.06 0.85 56.91 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.003 -1.061 . . . . 0.0 110.721 -178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -60.12 -39.41 86.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.839 -1.163 . . . . 0.0 108.846 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.73 -21.44 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -103.24 -18.06 15.06 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.093 -1.005 . . . . 0.0 109.172 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -139.24 135.29 33.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.404 -0.81 . . . . 0.0 109.549 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.27 86.68 2.49 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 47' ' ' ILE . 54.0 tt0 -171.75 -130.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.44 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' B' ' 46' ' ' GLU . 40.1 mt 39.95 59.67 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.575 -0.703 . . . . 0.0 109.305 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -93.95 -5.54 47.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.23 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -120.0 136.35 54.58 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.397 -0.815 . . . . 0.0 109.991 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.45 -39.94 89.34 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.452 -0.78 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -53.74 -29.41 39.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.086 -1.009 . . . . 0.0 109.861 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.52 -37.53 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 108.941 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.491 HG12 ' HZ2' ' B' ' 29' ' ' LYS . 94.7 t -70.5 -40.84 77.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.571 ' N ' ' HZ1' ' B' ' 29' ' ' LYS . 62.3 t0 -60.01 -43.96 94.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.16 -40.93 95.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 108.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.91 -40.74 86.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.662 -0.649 . . . . 0.0 109.896 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.96 -49.67 76.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.85 -1.156 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.96 -42.07 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.16 -0.962 . . . . 0.0 110.296 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.06 -39.95 75.37 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.95 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.19 -41.22 70.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.433 -0.792 . . . . 0.0 110.402 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.49 102.14 1.74 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.766 -1.209 . . . . 0.0 110.654 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.18 -40.65 94.72 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.384 -0.822 . . . . 0.0 109.24 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.91 -14.14 40.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.321 -0.862 . . . . 0.0 110.511 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.05 70.2 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 119.811 -1.185 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 p-10 -74.39 -2.78 26.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.115 -1.227 . . . . 0.0 110.172 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.92 5.03 89.68 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.213 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -140.22 159.96 41.02 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.235 . . . . 0.0 108.26 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.89 106.42 17.38 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.887 -1.133 . . . . 0.0 109.341 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.1 t70 -73.08 179.07 3.97 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.891 0.853 . . . . 0.0 110.892 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 56.9 t80 -61.55 -48.9 78.89 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.632 0.73 . . . . 0.0 109.656 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.55 -54.1 49.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.035 -1.041 . . . . 0.0 108.886 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.4 mt-10 -60.02 -43.07 95.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.953 -1.092 . . . . 0.0 108.608 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -49.95 -40.05 42.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.3 tpt -68.67 -31.98 71.47 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.65 -57.57 8.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.148 -0.97 . . . . 0.0 108.871 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.86 -35.41 10.31 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.99 -41.83 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 75' ' ' ALA . 52.5 p -73.06 -48.67 33.94 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.401 ' N ' ' O ' ' B' ' 75' ' ' ALA . 48.1 ttm -43.77 -40.0 4.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.433 HG12 ' N ' ' B' ' 81' ' ' THR . 36.8 t -55.71 -84.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.433 ' N ' HG12 ' B' ' 80' ' ' VAL . 75.9 p -42.06 -52.81 4.14 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.719 -1.238 . . . . 0.0 113.007 -177.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 80.6 p -60.14 -32.1 70.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.237 -1.54 . . . . 0.0 110.35 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.93 68.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.108 -0.995 . . . . 0.0 109.108 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.722 . . . . 0.0 109.522 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.273 0.559 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.01 -33.59 72.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -72.03 -32.73 67.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.958 . . . . 0.0 109.311 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.96 -46.12 92.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.98 -40.02 96.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.418 -0.801 . . . . 0.0 109.857 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.28 89.97 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.143 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.1 ttm -61.68 -49.47 76.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.94 . . . . 0.0 109.736 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -39.98 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.28 90.7 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.964 -1.085 . . . . 0.0 108.206 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -59.96 -50.88 72.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.717 . . . . 0.0 110.126 -178.591 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.07 -49.91 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.925 -1.109 . . . . 0.0 109.489 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -57.4 -40.03 77.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.044 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.371 -0.831 . . . . 0.0 110.331 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -62.14 -58.31 8.26 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.889 -1.132 . . . . 0.0 111.177 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -59.95 -40.79 90.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.827 -1.171 . . . . 0.0 111.942 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.39 -40.02 95.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.295 -1.503 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -72.08 -46.56 56.31 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.543 -0.723 . . . . 0.0 109.736 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.0 p -72.93 -19.57 61.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 110.137 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.41 15.88 55.07 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -78.27 -44.14 26.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.054 -1.263 . . . . 0.0 109.26 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -151.09 130.93 13.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 109.237 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.52 -179.91 36.19 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.68 149.88 38.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -1.124 . . . . 0.0 110.151 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 61.7 mttm -70.06 146.49 50.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 109.514 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER 81.23 21.83 0.35 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.614 0.721 . . . . 0.0 109.332 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -151.06 107.86 3.54 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.0 mp -96.51 120.38 36.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.107 -0.996 . . . . 0.0 109.861 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 14.3 ttmm -92.43 166.83 12.36 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.431 -0.793 . . . . 0.0 109.593 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -52.41 -42.76 64.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.808 -1.182 . . . . 0.0 109.325 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -59.97 -39.68 86.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.282 -0.886 . . . . 0.0 108.979 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 28' ' ' LYS . 45.1 mt-10 -68.05 -39.04 83.1 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.95 -45.63 92.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.575 -0.703 . . . . 0.0 109.493 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.945 -1.097 . . . . 0.0 109.468 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.19 -43.51 98.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -59.43 -48.59 81.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.423 -0.798 . . . . 0.0 109.435 -178.768 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.9 -40.22 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.917 -1.114 . . . . 0.0 110.24 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -75.36 -20.79 58.8 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.32 -0.862 . . . . 0.0 111.693 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -60.65 -61.71 2.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 111.891 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -145.42 -14.49 0.5 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.62 -1.3 . . . . 0.0 110.443 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -82.12 111.41 18.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.687 -1.258 . . . . 0.0 109.086 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 t -156.05 -35.32 0.09 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -64.93 -37.37 87.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.528 -0.733 . . . . 0.0 109.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' C ' HD22 ' A' ' 44' ' ' LEU . 96.8 m-85 -98.98 -2.76 36.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.329 -0.857 . . . . 0.0 109.787 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.7 mm? -113.66 140.72 47.99 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.389 -0.82 . . . . 0.0 109.31 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -72.72 149.83 43.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.114 -0.991 . . . . 0.0 108.596 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.63 138.59 58.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.111 -0.993 . . . . 0.0 109.63 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 94.3 mt -107.39 120.11 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.01 10.45 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.344 -0.847 . . . . 0.0 109.685 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -120.9 137.62 54.5 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.506 -0.746 . . . . 0.0 109.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' A' ' 53' ' ' VAL . 58.9 tt0 -61.04 -34.25 74.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.125 -0.984 . . . . 0.0 108.797 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLN . 98.1 mt-10 -45.74 -29.94 1.45 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.37 -0.831 . . . . 0.0 108.852 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.71 -34.33 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.6 t -65.07 -45.1 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.97 91.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -0.853 . . . . 0.0 109.886 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.06 -47.95 83.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.028 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.27 -41.05 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.518 -0.739 . . . . 0.0 109.661 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' ASP . 78.3 mtp -68.44 -39.97 81.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.09 -1.006 . . . . 0.0 109.953 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.14 -50.01 75.4 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.141 -0.975 . . . . 0.0 109.304 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.55 -40.01 77.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.463 -0.773 . . . . 0.0 109.615 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 tp -70.13 -40.01 75.1 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 56.1 t0 -74.7 70.39 1.85 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 110.832 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -70.57 -32.9 70.47 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 6.8 p-10 -60.0 -39.9 87.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.795 -0.566 . . . . 0.0 110.826 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 88.87 89.23 1.18 Allowed Glycine 0 N--CA 1.486 2.021 0 N-CA-C 107.739 -2.144 . . . . 0.0 107.739 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 67' ' ' GLU . 18.5 p-10 -160.82 -16.59 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.637 -0.919 . . . . 0.0 111.064 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 80.36 0.07 85.84 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' A' ' 65' ' ' ASP . 98.6 mt-10 -140.48 166.37 24.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.55 -0.971 . . . . 0.0 108.808 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.6 m -103.82 102.89 12.7 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.982 -1.073 . . . . 0.0 108.915 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -70.55 177.11 3.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.582 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.45 -50.16 74.7 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.494 0.664 . . . . 0.0 110.158 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -60.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 109.218 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 75' ' ' ALA . 86.5 tt0 -60.02 -43.61 95.14 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.464 -1.397 . . . . 0.0 107.818 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.6 -39.97 18.2 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.07 -29.72 71.04 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.149 -0.97 . . . . 0.0 108.734 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.16 -55.32 22.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -56.29 -40.44 74.29 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.13 -45.13 99.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.8 p -68.81 -44.26 73.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 110.088 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' ALA . 59.7 mmm -57.55 -40.02 77.97 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.0 -28.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.5 m -83.97 -45.2 13.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -72.97 -18.05 61.41 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.26 0.553 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -84.42 -47.46 10.64 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.145 -0.972 . . . . 0.0 110.46 -178.861 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.362 0.601 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.08 -33.52 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 0.0 109.635 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.556 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -72.06 -32.84 67.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.162 -0.961 . . . . 0.0 109.368 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.75 -46.38 90.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.036 -1.04 . . . . 0.0 109.441 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.86 -40.05 96.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 109.833 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.28 89.9 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.111 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.5 ttm -61.84 -49.35 76.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.619 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.456 -0.777 . . . . 0.0 109.352 -178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.27 90.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.891 -1.131 . . . . 0.0 108.26 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -59.99 -50.85 72.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.447 -0.783 . . . . 0.0 110.212 -178.644 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.96 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.903 -1.123 . . . . 0.0 109.482 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -57.34 -40.01 77.11 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.488 -0.758 . . . . 0.0 109.038 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.91 -40.08 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 110.262 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.32 -58.13 8.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.861 -1.15 . . . . 0.0 111.228 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -60.03 -40.73 90.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.868 -1.145 . . . . 0.0 112.066 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.47 -40.02 94.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.319 -1.488 . . . . 0.0 109.975 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -71.94 -46.55 57.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.532 -0.73 . . . . 0.0 109.779 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.177 -0.952 . . . . 0.0 110.211 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.54 15.72 55.98 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -78.24 -44.17 26.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.257 . . . . 0.0 109.29 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -151.12 130.93 13.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.253 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.62 -179.85 36.02 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.86 149.74 37.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.306 -1.114 . . . . 0.0 110.101 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.607 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 61.3 mttm -70.0 146.57 50.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.485 -0.759 . . . . 0.0 109.47 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.607 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER 81.4 21.59 0.34 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.561 0.696 . . . . 0.0 109.301 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -150.78 107.56 3.54 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.568 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.0 mp -96.41 120.42 36.69 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.138 -0.976 . . . . 0.0 109.884 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 14.3 ttmm -92.47 166.91 12.3 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.563 -0.71 . . . . 0.0 109.58 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -52.6 -42.8 64.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.815 -1.178 . . . . 0.0 109.244 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.01 -39.56 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.881 . . . . 0.0 108.93 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' B' ' 28' ' ' LYS . 45.2 mt-10 -68.01 -39.21 83.21 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.508 HD13 ' O ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -61.64 -45.84 92.32 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 109.551 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.98 . . . . 0.0 109.492 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.21 -43.3 99.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.347 -0.846 . . . . 0.0 109.357 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -59.63 -48.51 81.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.425 -178.676 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.18 -39.96 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 110.262 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -75.32 -20.89 58.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -0.891 . . . . 0.0 111.643 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.63 -61.7 2.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.698 -1.251 . . . . 0.0 111.867 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -145.4 -14.44 0.5 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.75 -1.219 . . . . 0.0 110.474 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.518 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.4 mm? -82.39 111.8 18.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.845 -1.159 . . . . 0.0 109.058 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -156.29 -35.15 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -65.1 -37.29 87.03 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.598 -0.688 . . . . 0.0 109.257 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.475 ' C ' HD22 ' B' ' 44' ' ' LEU . 96.8 m-85 -99.11 -2.5 36.84 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.839 . . . . 0.0 109.688 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.475 HD22 ' C ' ' B' ' 43' ' ' PHE . 3.5 mm? -114.0 140.63 48.28 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.371 -0.831 . . . . 0.0 109.339 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.68 149.62 43.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 108.694 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.36 138.7 58.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.116 -0.99 . . . . 0.0 109.658 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -107.48 120.19 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.0 10.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.336 -0.853 . . . . 0.0 109.671 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -120.85 137.53 54.52 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.513 -0.742 . . . . 0.0 109.85 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' B' ' 53' ' ' VAL . 59.0 tt0 -61.02 -34.11 74.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.114 -0.991 . . . . 0.0 108.813 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -45.85 -30.05 1.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.36 -0.838 . . . . 0.0 108.863 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.52 -34.55 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.4 t -64.99 -44.71 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.78 . . . . 0.0 109.056 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.0 -41.01 91.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.14 -48.26 82.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.027 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.02 -40.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 109.675 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.408 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.2 mtp -68.37 -40.03 81.57 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.149 -0.969 . . . . 0.0 110.042 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -50.01 75.4 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.238 -0.914 . . . . 0.0 109.226 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.61 -39.98 76.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.47 -0.769 . . . . 0.0 109.531 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.0 tp -70.03 -40.35 75.23 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.503 -0.748 . . . . 0.0 109.005 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' B' ' 57' ' ' MET . 56.1 t0 -74.59 70.39 1.8 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.321 -0.862 . . . . 0.0 110.968 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -70.24 -32.92 70.99 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 6.7 p-10 -59.97 -40.01 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.792 -0.567 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 89.02 89.24 1.2 Allowed Glycine 0 N--CA 1.486 2.022 0 N-CA-C 107.694 -2.162 . . . . 0.0 107.694 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' B' ' 67' ' ' GLU . 19.2 p-10 -160.85 -16.51 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.641 -0.917 . . . . 0.0 111.082 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 80.39 -0.08 85.6 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.481 ' H ' ' CG ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -140.23 166.38 24.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.643 -0.916 . . . . 0.0 108.859 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.5 m -103.94 103.08 12.88 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.921 -1.112 . . . . 0.0 108.837 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -70.44 177.24 3.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 110.63 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.62 -50.07 74.98 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.419 0.628 . . . . 0.0 110.07 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.95 -51.61 68.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.207 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ALA . 86.5 tt0 -59.93 -43.8 94.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.446 -1.409 . . . . 0.0 107.806 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.49 -39.92 17.16 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.11 -29.89 71.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 108.628 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.03 -55.43 22.34 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.78 -40.92 73.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.85 -45.38 98.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 79.3 p -68.68 -44.32 74.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.572 -0.705 . . . . 0.0 110.104 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.451 ' O ' ' N ' ' B' ' 83' ' ' ALA . 58.8 mmm -57.59 -40.12 78.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.586 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.02 -28.24 44.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -84.36 -44.67 13.54 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -73.54 -17.79 61.16 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.736 -0.603 . . . . 0.0 109.709 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -84.6 -47.26 10.72 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.226 -0.921 . . . . 0.0 109.98 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.259 -0.9 . . . . 0.0 110.549 -178.907 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -59.93 -30.07 68.81 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.221 -0.924 . . . . 0.0 109.61 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.83 -34.03 73.09 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.093 -1.004 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.4 -45.15 94.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 110.001 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.186 -0.946 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.73 76.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 108.969 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mtp -62.04 -49.97 73.86 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.546 0.689 . . . . 0.0 109.143 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.09 -39.96 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.67 -0.644 . . . . 0.0 110.215 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.16 -39.98 73.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.063 -1.023 . . . . 0.0 109.482 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.52 -46.03 91.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.123 -0.986 . . . . 0.0 110.137 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.05 -51.36 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.936 -1.102 . . . . 0.0 109.68 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -59.9 -41.27 91.27 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 108.701 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.97 -43.52 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.377 -0.827 . . . . 0.0 109.982 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.47 -56.43 16.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.051 -1.031 . . . . 0.0 110.049 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -59.92 -43.59 94.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.939 -1.101 . . . . 0.0 111.398 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -70.02 -40.24 75.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.227 -1.546 . . . . 0.0 109.41 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.562 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.0 t80 -72.29 -40.39 67.6 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.578 0.704 . . . . 0.0 109.661 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 m -77.22 -19.93 55.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.326 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 19.81 36.11 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 120.964 -1.085 . . . . 0.0 110.434 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -82.67 -45.31 14.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.776 -1.426 . . . . 0.0 109.84 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -127.57 142.15 51.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.551 -0.718 . . . . 0.0 109.68 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.19 -123.83 28.69 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -134.93 157.91 45.65 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.444 -1.033 . . . . 0.0 109.583 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -68.08 168.57 11.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.405 -0.809 . . . . 0.0 109.065 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.0 t60 69.59 32.84 3.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 0.0 109.522 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -167.38 95.75 0.47 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.397 -0.815 . . . . 0.0 109.043 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.6 mm? -96.05 119.0 33.76 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.127 -0.983 . . . . 0.0 109.761 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -92.38 166.1 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.566 -0.709 . . . . 0.0 109.29 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.76 -39.86 82.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 109.721 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -64.09 -39.33 93.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.056 -1.028 . . . . 0.0 108.506 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.06 -34.37 73.12 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.803 -0.56 . . . . 0.0 109.742 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.04 -40.56 75.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.302 -0.874 . . . . 0.0 109.442 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.08 -40.06 88.25 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.842 0.83 . . . . 0.0 108.925 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.24 -46.09 90.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.746 -0.596 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.562 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.8 tt -59.98 -47.58 85.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.988 -1.07 . . . . 0.0 109.3 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -48.0 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.097 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -71.58 -20.07 62.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 111.056 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -57.47 -59.84 4.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.901 -1.124 . . . . 0.0 111.564 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -142.4 -10.21 0.84 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.725 -1.234 . . . . 0.0 111.1 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.81 130.53 35.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.682 -1.261 . . . . 0.0 108.797 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -163.58 -34.8 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.393 -0.817 . . . . 0.0 109.119 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.97 -18.03 62.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.07 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.424 ' C ' HD22 ' A' ' 44' ' ' LEU . 96.8 m-85 -103.29 -16.99 15.5 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.149 -0.97 . . . . 0.0 109.723 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.6 mm? -104.06 150.9 23.86 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 109.298 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -84.92 -76.5 0.31 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.356 -0.84 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -164.55 106.25 0.86 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.8 mt -99.35 104.21 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.078 -1.014 . . . . 0.0 109.092 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -112.73 -22.73 10.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.608 -0.683 . . . . 0.0 109.895 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -112.01 137.52 49.91 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.454 -0.779 . . . . 0.0 109.993 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -61.88 -30.11 70.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.324 -0.86 . . . . 0.0 109.595 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.36 -31.82 62.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.868 . . . . 0.0 109.585 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.88 -34.99 62.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 108.809 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.29 -42.22 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.633 -0.667 . . . . 0.0 109.458 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.23 88.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 0.0 109.844 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.75 -43.66 97.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 109.067 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.76 -40.07 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.578 -0.701 . . . . 0.0 109.503 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -41.68 95.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.724 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.15 -41.15 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.038 -1.038 . . . . 0.0 109.367 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 m -69.43 -40.48 77.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 110.023 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 76' ' ' PHE . 7.3 mp -73.03 -42.1 63.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.378 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 28.1 t0 -66.52 97.57 0.44 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 110.563 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -47.61 85.51 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.579 -0.7 . . . . 0.0 109.943 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.1 p-10 -92.45 -3.67 54.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.207 -0.933 . . . . 0.0 111.393 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.18 70.13 Favored Glycine 0 N--CA 1.496 2.684 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.436 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.546 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 33.6 p-10 -71.08 -6.96 43.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.796 -1.414 . . . . 0.0 110.432 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.15 -5.58 79.41 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 120.862 -1.149 . . . . 0.0 110.877 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -137.01 161.32 36.38 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -1.171 . . . . 0.0 108.117 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.75 106.61 17.17 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.87 -1.144 . . . . 0.0 108.916 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.33 174.75 3.76 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.878 0.846 . . . . 0.0 110.864 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.92 -50.83 72.21 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.354 0.597 . . . . 0.0 109.545 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -60.03 -53.55 56.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.41 -0.806 . . . . 0.0 109.2 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -59.97 -48.1 83.1 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -44.83 -39.84 5.66 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mtp -71.13 -22.12 62.11 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.383 -0.823 . . . . 0.0 109.909 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.45 -59.14 5.39 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.66 -1.275 . . . . 0.0 108.677 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.422 ' CD1' HD21 ' A' ' 60' ' ' LEU . 89.0 t80 -51.51 -39.86 58.47 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.15 -45.79 95.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -66.47 -44.83 81.66 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.311 -0.868 . . . . 0.0 110.207 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.1 ttt -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.199 -0.938 . . . . 0.0 109.611 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.41 -33.37 62.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -70.11 -41.2 74.32 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -64.59 -56.03 16.58 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.32 -37.82 2.4 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 0.0 109.654 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.01 -29.8 68.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.364 -0.835 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.96 -34.0 72.83 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.678 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.41 -45.16 94.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.031 -1.043 . . . . 0.0 110.011 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -59.87 -40.13 87.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.17 -0.956 . . . . 0.0 110.027 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.976 . . . . 0.0 108.869 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 73.8 mtp -62.24 -49.89 73.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.575 -0.703 . . . . 0.0 109.22 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -40.05 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.615 -0.678 . . . . 0.0 110.162 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.09 72.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.941 -1.099 . . . . 0.0 109.488 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.57 -46.04 91.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.069 -1.019 . . . . 0.0 110.187 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.01 -51.16 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.889 -1.132 . . . . 0.0 109.727 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -60.02 -41.36 92.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 108.657 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.09 -43.35 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -63.42 -56.6 14.88 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.987 -1.071 . . . . 0.0 110.096 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -59.84 -43.23 94.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.12 . . . . 0.0 111.406 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -70.02 -40.36 75.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.307 -1.496 . . . . 0.0 109.531 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 65.1 t80 -72.68 -40.03 66.59 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.542 0.686 . . . . 0.0 109.721 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.1 m -77.45 -19.67 55.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.441 -0.787 . . . . 0.0 110.333 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.09 19.62 37.68 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -82.62 -45.36 14.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.764 -1.433 . . . . 0.0 109.78 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -127.58 141.95 51.5 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.526 -0.734 . . . . 0.0 109.741 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.41 -123.82 28.27 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -135.28 157.88 45.78 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.482 -1.011 . . . . 0.0 109.479 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -68.02 168.64 11.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.083 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.4 t60 69.72 32.86 3.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.555 -0.716 . . . . 0.0 109.316 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -167.41 95.87 0.47 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 109.183 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.499 HD22 ' N ' ' B' ' 27' ' ' LEU . 3.6 mm? -96.35 119.0 34.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -92.36 166.02 12.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.612 -0.68 . . . . 0.0 109.259 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.52 -40.1 81.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.775 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 95.7 p -63.82 -39.58 94.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.056 . . . . 0.0 108.582 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.92 -34.4 73.43 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.218 0.533 . . . . 0.0 109.738 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.96 -40.76 75.21 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.281 -0.887 . . . . 0.0 109.534 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 108.932 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -60.06 -46.12 90.62 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.842 -0.536 . . . . 0.0 109.753 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.553 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 8.5 tt -59.96 -47.6 85.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.089 -1.007 . . . . 0.0 109.414 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -47.92 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.3 -0.875 . . . . 0.0 110.01 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.81 -20.01 61.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -57.71 -59.61 4.95 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.901 -1.125 . . . . 0.0 111.478 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -142.52 -10.19 0.83 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.737 -1.227 . . . . 0.0 111.082 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.71 130.29 35.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.678 -1.264 . . . . 0.0 108.846 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.1 t -163.08 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.519 -0.738 . . . . 0.0 109.187 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.76 -18.08 62.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.51 -0.744 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.426 ' C ' HD22 ' B' ' 44' ' ' LEU . 96.7 m-85 -103.28 -17.06 15.48 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.096 -1.002 . . . . 0.0 109.695 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' B' ' 44' ' ' LEU . 3.4 mm? -104.2 150.66 24.18 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.505 -0.747 . . . . 0.0 109.384 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.39 -76.65 0.3 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.326 -0.858 . . . . 0.0 108.869 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -164.7 106.45 0.85 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 109.323 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 96.4 mt -99.49 104.59 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.144 -0.973 . . . . 0.0 109.137 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -113.1 -22.56 10.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.533 -0.729 . . . . 0.0 109.897 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -111.95 137.55 49.79 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.448 -0.782 . . . . 0.0 110.017 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -62.14 -29.99 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 109.602 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.31 -31.87 61.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.371 -0.831 . . . . 0.0 109.525 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.97 -35.04 62.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 108.774 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.4 -41.83 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 109.508 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.06 -40.11 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.81 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -60.67 -43.86 97.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.76 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.581 -0.699 . . . . 0.0 109.565 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.6 -41.61 95.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.147 -0.97 . . . . 0.0 110.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.032 -1.042 . . . . 0.0 109.334 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 74.1 m -69.48 -40.42 77.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.28 -0.887 . . . . 0.0 110.049 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.409 HD21 ' CD1' ' B' ' 76' ' ' PHE . 8.1 mp -72.81 -42.88 63.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -0.88 . . . . 0.0 110.235 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 26.6 t0 -65.76 97.96 0.36 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.901 -1.124 . . . . 0.0 110.705 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.48 -48.18 82.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.577 -0.702 . . . . 0.0 109.91 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.9 p-10 -91.99 -3.96 55.18 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.222 -0.923 . . . . 0.0 111.397 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.72 29.11 69.85 Favored Glycine 0 N--CA 1.497 2.757 0 C-N-CA 119.511 -1.328 . . . . 0.0 110.459 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.2 p-10 -70.98 -7.01 43.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.938 -1.331 . . . . 0.0 110.503 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.08 -5.24 80.64 Favored Glycine 0 N--CA 1.497 2.736 0 O-C-N 120.88 -1.137 . . . . 0.0 110.805 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -137.11 161.01 37.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.258 -1.142 . . . . 0.0 108.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 67.8 m -103.57 106.78 17.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.947 -1.096 . . . . 0.0 108.843 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -68.6 175.05 3.7 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.875 0.845 . . . . 0.0 110.829 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.02 -50.65 72.91 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.351 0.596 . . . . 0.0 109.539 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -53.66 55.17 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.308 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.8 mt-10 -60.03 -48.15 82.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.963 -1.086 . . . . 0.0 108.382 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -44.94 -39.24 5.31 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.5 mtp -71.58 -22.06 61.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.16 -59.7 4.66 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.736 -1.228 . . . . 0.0 108.657 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.409 ' CD1' HD21 ' B' ' 60' ' ' LEU . 88.9 t80 -51.2 -39.92 57.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.12 -45.79 95.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -66.43 -44.81 81.85 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.98 -42.43 94.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.288 -0.882 . . . . 0.0 109.54 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.59 -33.16 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -69.98 -41.29 74.62 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 8.7 m -64.77 -55.84 17.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.29 -37.91 2.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.639 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.833 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -66.75 -30.5 70.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 110.041 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.09 -37.23 75.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.117 -0.989 . . . . 0.0 110.053 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.1 -41.35 97.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 109.89 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.1 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.813 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.96 71.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 0.0 109.488 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -59.93 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.326 -0.859 . . . . 0.0 109.429 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.03 -40.02 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 109.282 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.132 -0.98 . . . . 0.0 109.849 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.15 -44.19 95.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.137 -0.977 . . . . 0.0 111.16 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.09 -49.55 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.806 -1.183 . . . . 0.0 109.204 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.02 -39.9 87.46 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.91 -44.77 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.816 . . . . 0.0 110.141 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -60.33 -55.04 38.43 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.897 -1.127 . . . . 0.0 110.649 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.29 -39.99 84.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 111.178 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.78 -40.15 79.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.282 -1.511 . . . . 0.0 110.046 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -73.9 -44.0 56.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.248 -0.908 . . . . 0.0 110.383 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -69.67 -18.82 63.59 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.906 -1.122 . . . . 0.0 109.67 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.07 22.53 14.39 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -86.44 -60.36 2.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.228 -1.16 . . . . 0.0 109.366 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -139.64 160.89 38.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.398 -0.814 . . . . 0.0 109.738 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.77 170.89 38.82 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 7.1 t70 -49.94 -95.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.268 -1.136 . . . . 0.0 109.448 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.506 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 33.1 ttmt -165.95 123.97 1.5 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 109.767 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.1 t-80 79.32 1.12 2.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.783 -0.573 . . . . 0.0 110.139 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -108.19 125.43 51.62 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -95.62 119.2 33.71 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.887 -1.133 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -94.42 165.1 12.73 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.92 77.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.912 -1.117 . . . . 0.0 110.029 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.7 p -60.07 -39.9 87.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.987 -1.071 . . . . 0.0 108.958 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.28 -39.91 78.09 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.15 -43.93 98.12 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.24 -40.57 94.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.511 -0.743 . . . . 0.0 109.679 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.58 -44.68 81.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.135 -0.978 . . . . 0.0 110.212 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.507 HD11 ' OE1' ' A' ' 39' ' ' GLU . 59.0 tp -59.91 -49.04 79.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 0.0 109.965 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 89.8 mt -60.38 -43.54 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.935 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.064 -1.023 . . . . 0.0 111.312 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.32 -13.54 52.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.969 -1.082 . . . . 0.0 112.637 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.507 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.8 mt-10 -128.09 -89.96 0.52 Allowed 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.92 -1.113 . . . . 0.0 112.253 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 85.9 mt -75.16 129.29 37.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.077 -1.015 . . . . 0.0 111.059 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -150.04 -40.3 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -75.85 -18.6 59.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' C ' HD22 ' A' ' 44' ' ' LEU . 97.5 m-85 -99.25 -11.93 20.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.253 -0.905 . . . . 0.0 109.965 -178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.487 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.8 mm? -107.44 -108.94 0.31 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -176.9 143.58 0.43 Allowed 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -65.36 127.51 32.05 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.778 -1.201 . . . . 0.0 108.018 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -108.47 129.99 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.277 -0.889 . . . . 0.0 109.939 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -106.87 -26.2 11.34 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.633 -0.667 . . . . 0.0 109.521 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -110.59 132.96 53.74 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.444 -0.785 . . . . 0.0 110.397 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.3 tt0 -64.65 -38.89 92.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.791 . . . . 0.0 109.356 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -45.39 -33.18 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.426 -0.797 . . . . 0.0 109.693 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.69 -32.41 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 108.747 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' GLN . 66.7 t -69.95 -42.72 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.623 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.03 -40.21 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.245 -0.909 . . . . 0.0 110.743 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -60.35 -45.3 93.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.031 -1.043 . . . . 0.0 108.624 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.65 -39.89 82.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-O 121.221 0.534 . . . . 0.0 110.145 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mtp -67.48 -39.89 85.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.234 -0.916 . . . . 0.0 110.76 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.53 -43.69 84.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.033 -1.042 . . . . 0.0 108.974 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.0 -39.99 75.54 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.03 75.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.707 -0.62 . . . . 0.0 109.789 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.26 105.73 1.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.198 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 74.4 mm-40 -61.34 -39.96 92.49 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.443 -0.786 . . . . 0.0 109.465 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.83 -9.3 31.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.188 -0.945 . . . . 0.0 111.1 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 29.44 73.24 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.412 -1.375 . . . . 0.0 109.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -70.24 -3.94 19.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.06 -1.259 . . . . 0.0 109.546 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.37 52.37 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.4 mp0 -130.24 164.88 23.58 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.056 -1.261 . . . . 0.0 108.686 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.7 t -100.22 109.0 21.23 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.265 -0.897 . . . . 0.0 109.657 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.5 t0 -70.97 175.41 5.16 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.809 0.814 . . . . 0.0 110.583 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 44.2 t80 -62.97 -50.22 71.65 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.29 0.567 . . . . 0.0 110.678 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -60.13 -53.84 52.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.8 mt-10 -59.96 -44.17 94.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.809 -1.182 . . . . 0.0 107.84 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -49.19 -39.95 31.39 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.68 -30.05 71.2 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -65.49 -51.53 59.39 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.58 -39.97 62.12 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -42.64 90.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 81' ' ' THR . 42.1 p -70.58 -46.31 63.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.442 -0.786 . . . . 0.0 110.157 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 25.4 ttt -51.81 -40.06 59.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.097 -1.002 . . . . 0.0 108.994 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.47 -27.63 39.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' SER . 24.2 m -79.96 -49.16 12.26 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.1 p -70.1 -14.32 62.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.533 -0.729 . . . . 0.0 109.368 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . -71.27 -45.42 63.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.335 -0.853 . . . . 0.0 109.341 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 87.3 m . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.0 109.125 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.272 0.558 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.5 -30.12 69.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.112 -0.992 . . . . 0.0 110.025 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.3 tp -70.15 -37.31 75.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.989 . . . . 0.0 110.03 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.0 -41.6 97.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.96 -40.05 87.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.928 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -50.8 72.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.0 109.407 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.07 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.425 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.03 -39.93 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.589 -0.694 . . . . 0.0 109.407 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.02 91.0 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.22 -0.925 . . . . 0.0 109.796 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.04 -44.29 94.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.139 -0.976 . . . . 0.0 111.188 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.781 -1.199 . . . . 0.0 109.244 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.78 -39.98 86.71 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.99 -44.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.11 -55.24 36.3 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.863 -1.148 . . . . 0.0 110.659 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.21 -40.08 84.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 111.376 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.7 -39.91 80.28 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.277 -1.514 . . . . 0.0 110.172 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.22 -43.93 55.16 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.255 -0.903 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.9 t -69.63 -18.76 63.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.887 -1.133 . . . . 0.0 109.735 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.19 22.34 15.85 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.29 -60.15 2.08 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -1.208 . . . . 0.0 109.419 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.79 160.78 39.12 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.392 -0.818 . . . . 0.0 109.69 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 93.98 170.76 38.46 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 7.0 t70 -50.0 -95.06 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.183 -1.187 . . . . 0.0 109.408 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.503 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 33.1 ttmt -165.99 123.99 1.49 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.1 t-80 79.31 1.22 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.699 -0.625 . . . . 0.0 110.15 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -108.25 125.11 51.3 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.28 119.06 33.14 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.824 -1.172 . . . . 0.0 110.489 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -94.31 165.2 12.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.749 -0.594 . . . . 0.0 109.402 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.99 77.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.983 -1.073 . . . . 0.0 110.018 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -60.08 -39.69 86.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.074 -1.016 . . . . 0.0 109.06 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.59 -39.88 77.03 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.92 -44.08 97.71 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.21 -40.42 93.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.424 -0.797 . . . . 0.0 109.761 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.63 -44.66 81.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -0.96 . . . . 0.0 110.289 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.502 HD11 ' OE1' ' B' ' 39' ' ' GLU . 59.0 tp -59.99 -49.09 79.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.323 -0.861 . . . . 0.0 109.821 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 89.3 mt -60.05 -43.84 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.141 -0.974 . . . . 0.0 110.09 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.23 -39.99 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.117 -0.989 . . . . 0.0 111.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.14 -13.65 52.33 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.874 -1.141 . . . . 0.0 112.57 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.502 ' OE1' HD11 ' B' ' 35' ' ' LEU . 98.8 mt-10 -128.0 -89.99 0.52 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.855 -1.153 . . . . 0.0 112.332 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 85.6 mt -75.24 129.01 36.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.079 -1.013 . . . . 0.0 111.044 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -149.96 -40.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -75.95 -18.45 59.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.487 -0.758 . . . . 0.0 109.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.489 ' C ' HD22 ' B' ' 44' ' ' LEU . 97.5 m-85 -99.29 -12.07 20.69 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.291 -0.881 . . . . 0.0 109.969 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.489 HD22 ' C ' ' B' ' 43' ' ' PHE . 3.8 mm? -107.33 -108.8 0.31 Allowed 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -177.03 143.4 0.4 Allowed 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.21 127.57 32.25 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.839 -1.163 . . . . 0.0 108.106 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.48 130.03 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.341 -0.849 . . . . 0.0 109.905 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -107.03 -26.1 11.3 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.582 -0.699 . . . . 0.0 109.401 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.79 132.71 53.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.512 -0.743 . . . . 0.0 110.495 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.2 tt0 -64.27 -39.27 93.6 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.692 0.758 . . . . 0.0 109.282 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -45.21 -33.12 2.16 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.656 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -69.81 -32.22 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 69.2 t -70.0 -42.67 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.57 -0.706 . . . . 0.0 109.589 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.1 -40.14 92.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.265 -0.897 . . . . 0.0 110.855 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.38 -45.41 93.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.157 -0.965 . . . . 0.0 108.643 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.49 -39.96 82.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.225 0.536 . . . . 0.0 110.037 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 94.9 mtp -67.52 -40.01 85.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.154 -0.966 . . . . 0.0 110.698 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.37 -43.74 85.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.954 -1.091 . . . . 0.0 109.088 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.22 -39.9 74.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.08 75.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.6 -0.688 . . . . 0.0 109.674 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.1 105.67 1.75 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.121 -0.987 . . . . 0.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -61.17 -40.02 92.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.423 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.72 -9.51 31.67 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.23 -0.919 . . . . 0.0 111.13 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.32 73.11 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -4.18 19.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.072 -1.252 . . . . 0.0 109.344 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.63 -17.8 50.34 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 55.2 mp0 -129.79 164.54 23.83 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.023 -1.28 . . . . 0.0 108.639 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 t -99.84 109.11 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.1 t0 -71.01 175.48 5.13 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.835 0.826 . . . . 0.0 110.65 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 43.6 t80 -62.95 -50.16 71.91 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.231 0.539 . . . . 0.0 110.627 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -54.06 50.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.079 -1.013 . . . . 0.0 109.551 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.8 mt-10 -59.99 -44.32 94.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.756 -1.215 . . . . 0.0 107.77 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -49.01 -40.03 29.25 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.57 -30.15 71.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.37 -51.51 59.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.68 -40.03 62.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -42.84 90.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 81' ' ' THR . 41.9 p -70.57 -46.25 63.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.137 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 25.3 ttt -51.84 -40.0 59.79 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.13 -0.981 . . . . 0.0 108.999 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -27.63 39.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' B' ' 78' ' ' SER . 23.8 m -79.9 -49.43 11.92 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.4 p -70.0 -14.18 62.58 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.566 -0.709 . . . . 0.0 109.393 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . -71.33 -45.7 62.37 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 109.343 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.162 179.789 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.399 0.618 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 56.2 mp0 -59.93 -33.21 71.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.522 -0.736 . . . . 0.0 109.829 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.38 -34.24 75.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.94 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.3 -41.04 96.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.033 -1.042 . . . . 0.0 109.249 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.07 -39.57 86.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 0.0 109.926 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.14 94.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.105 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.4 -48.17 68.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.174 -0.954 . . . . 0.0 109.064 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -40.51 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.597 -0.689 . . . . 0.0 110.642 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.854 -1.154 . . . . 0.0 110.159 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.98 -41.14 91.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.684 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.0 -50.26 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.684 -1.26 . . . . 0.0 109.353 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.56 -39.98 89.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 0.0 109.459 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.67 -49.24 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.445 -0.785 . . . . 0.0 109.571 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.0 -53.25 60.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.246 -0.909 . . . . 0.0 109.393 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -59.99 -40.58 89.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 112.117 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -70.8 -40.2 72.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.002 -1.686 . . . . 0.0 110.471 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -77.51 -48.42 17.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.377 -0.827 . . . . 0.0 110.583 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.6 t -78.33 -19.9 52.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.949 -1.094 . . . . 0.0 110.146 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.36 11.01 72.56 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -83.03 -40.63 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.241 . . . . 0.0 108.658 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -148.12 150.98 34.83 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.14 -169.26 49.65 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.053 -1.07 . . . . 0.0 110.529 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -95.36 141.17 29.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.475 -1.015 . . . . 0.0 110.033 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 30.3 ttmt -62.15 138.75 58.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.538 -0.726 . . . . 0.0 109.94 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 1.6 t-160 79.2 27.66 0.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.608 0.718 . . . . 0.0 109.318 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -153.4 100.6 2.45 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.1 mp -99.82 124.39 45.06 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.346 -0.846 . . . . 0.0 109.928 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -93.03 165.82 12.66 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -58.4 -39.98 81.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.033 -1.042 . . . . 0.0 109.417 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -62.76 -40.42 97.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.891 -1.131 . . . . 0.0 108.799 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.09 -32.9 71.19 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.502 0.668 . . . . 0.0 109.311 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -69.03 -40.09 78.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.482 -0.761 . . . . 0.0 109.307 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.2 -40.03 90.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.427 -0.796 . . . . 0.0 110.73 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.01 -43.67 95.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.008 -1.057 . . . . 0.0 109.95 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 39' ' ' GLU . 61.9 tp -59.94 -47.75 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.317 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' GLU . 96.7 mt -61.62 -42.36 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.19 -40.41 95.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.872 -1.143 . . . . 0.0 108.855 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.52 -49.9 10.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.492 ' OE1' HD11 ' A' ' 35' ' ' LEU . 99.0 mt-10 -112.16 170.24 8.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.665 0.745 . . . . 0.0 110.567 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt 54.71 24.87 5.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.795 -0.566 . . . . 0.0 110.739 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 109.257 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -70.04 -19.63 63.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 110.622 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -98.68 -17.44 18.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.092 -1.005 . . . . 0.0 109.972 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.47 109.77 4.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -122.79 -23.71 5.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.477 -0.764 . . . . 0.0 109.981 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 9.3 pt-20 -71.05 -113.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.102 . . . . 0.0 109.798 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mt 47.91 69.63 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.003 -1.061 . . . . 0.0 109.118 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -90.08 -19.87 23.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -119.13 138.84 52.64 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.208 -0.933 . . . . 0.0 110.246 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -62.53 -38.72 91.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.168 -0.958 . . . . 0.0 108.634 178.692 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -47.91 -33.62 7.87 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.01 -34.35 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 108.766 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLN . 67.1 t -67.19 -47.32 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.423 -0.798 . . . . 0.0 109.467 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.85 -41.43 95.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.23 -0.918 . . . . 0.0 109.839 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.04 -47.51 86.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.293 -0.879 . . . . 0.0 108.926 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.561 -0.712 . . . . 0.0 109.505 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.4 ttm -60.0 -44.13 94.75 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.176 -0.952 . . . . 0.0 109.963 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -42.38 94.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.122 -0.986 . . . . 0.0 109.521 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -65.08 -39.95 93.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.327 -0.858 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.7 -40.05 76.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.58 -0.7 . . . . 0.0 110.283 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.9 114.58 4.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.111 -0.993 . . . . 0.0 110.705 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -59.95 -43.17 95.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.741 -0.599 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -94.95 -4.98 45.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.052 -1.03 . . . . 0.0 110.646 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.42 33.23 68.03 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 119.764 -1.208 . . . . 0.0 110.279 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -77.36 2.05 17.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.126 -1.22 . . . . 0.0 109.797 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.37 11.4 71.61 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.52 160.06 40.84 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.01 104.84 13.79 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.827 -1.171 . . . . 0.0 109.862 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.49 174.47 4.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.897 0.856 . . . . 0.0 110.723 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.02 -49.9 75.85 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.527 0.679 . . . . 0.0 109.212 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.08 -54.51 45.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.431 -0.793 . . . . 0.0 109.674 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -59.94 -46.13 90.39 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -47.84 -37.99 15.07 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 tpt -66.97 -30.13 70.17 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.56 -53.52 50.46 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.8 -40.15 69.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.29 -45.98 95.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -64.8 -42.49 94.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.364 -0.835 . . . . 0.0 109.929 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.4 tpp -55.28 -39.95 70.44 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.215 -0.928 . . . . 0.0 108.713 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.0 -33.33 54.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.21 -0.931 . . . . 0.0 108.558 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.67 -45.89 90.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 0.0 109.299 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.1 p -67.77 -52.23 39.68 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.118 -0.988 . . . . 0.0 108.779 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.63 -40.13 18.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.236 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.317 -0.864 . . . . 0.0 108.924 179.74 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 55.3 mp0 -60.03 -33.06 71.51 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.558 -0.714 . . . . 0.0 109.835 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.56 -34.14 75.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 110.014 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -61.29 -41.13 96.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.05 . . . . 0.0 109.227 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -59.99 -39.44 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.95 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.33 94.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.145 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.2 -48.42 67.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.281 -0.887 . . . . 0.0 109.052 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.57 -40.57 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.534 -0.729 . . . . 0.0 110.699 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.76 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.749 -1.219 . . . . 0.0 110.344 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.06 -41.24 91.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.162 -0.961 . . . . 0.0 110.693 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.97 -50.17 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.705 -1.247 . . . . 0.0 109.358 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.54 -40.13 90.41 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.361 -0.837 . . . . 0.0 109.395 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.62 -49.25 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.422 -0.799 . . . . 0.0 109.479 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.01 -53.29 59.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.276 -0.89 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.98 -40.36 88.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.139 -0.975 . . . . 0.0 112.152 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.01 -40.27 71.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 119.997 -1.69 . . . . 0.0 110.367 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -77.29 -48.49 17.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.813 . . . . 0.0 110.676 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -78.71 -19.57 52.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.911 -1.118 . . . . 0.0 109.99 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.4 10.97 72.75 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -82.95 -40.64 19.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 108.681 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -148.11 151.2 35.22 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -169.41 49.28 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.444 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.68 141.11 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.503 -0.998 . . . . 0.0 109.924 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 31.3 ttmt -62.03 138.68 58.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.483 -0.761 . . . . 0.0 109.869 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 1.6 t-160 79.33 27.53 0.38 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.606 0.717 . . . . 0.0 109.183 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -153.06 100.63 2.5 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.446 ' N ' HD12 ' B' ' 27' ' ' LEU . 10.9 mp -99.78 124.26 44.88 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.301 -0.874 . . . . 0.0 110.02 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -92.86 165.51 12.87 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -58.25 -40.03 80.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.084 -1.01 . . . . 0.0 109.347 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 t -62.82 -40.29 96.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.881 -1.137 . . . . 0.0 108.932 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.18 -32.48 70.44 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.468 0.652 . . . . 0.0 109.332 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.33 -40.17 77.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.451 -0.781 . . . . 0.0 109.241 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.22 -39.91 89.92 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.323 -0.861 . . . . 0.0 110.652 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.01 -43.85 94.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.963 -1.086 . . . . 0.0 109.788 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.491 HD11 ' OE1' ' B' ' 39' ' ' GLU . 61.6 tp -59.97 -47.61 85.11 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.188 -0.945 . . . . 0.0 109.18 -178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.9 mt -61.82 -42.25 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.167 -0.958 . . . . 0.0 109.934 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.42 -40.31 96.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.737 -1.227 . . . . 0.0 108.757 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -80.3 -49.91 10.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.752 -0.592 . . . . 0.0 110.625 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.491 ' OE1' HD11 ' B' ' 35' ' ' LEU . 99.2 mt-10 -112.28 170.0 8.47 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.591 0.71 . . . . 0.0 110.513 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.4 mt 55.05 24.78 6.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.841 -0.537 . . . . 0.0 110.697 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.8 m -59.96 -39.98 87.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.063 -1.023 . . . . 0.0 109.208 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.01 -19.79 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.483 -0.761 . . . . 0.0 110.744 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.5 -18.08 18.38 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.111 -0.993 . . . . 0.0 109.991 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.77 109.86 4.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.153 -0.967 . . . . 0.0 108.745 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -122.67 -24.09 4.97 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.472 -0.768 . . . . 0.0 110.025 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' B' ' 46' ' ' GLU . 9.4 pt-20 -70.94 -113.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 109.828 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mt 48.02 69.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.119 -0.988 . . . . 0.0 109.061 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.1 -19.85 23.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.219 -0.925 . . . . 0.0 109.881 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -119.05 139.16 52.2 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.289 -0.882 . . . . 0.0 110.227 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.53 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 0.9 OUTLIER -62.92 -38.57 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.1 -1.0 . . . . 0.0 108.542 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -48.2 -33.33 8.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.07 -34.81 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 50' ' ' GLN . 68.4 t -66.76 -47.2 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -0.806 . . . . 0.0 109.671 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.29 -41.11 96.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.154 -0.967 . . . . 0.0 109.827 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -61.29 -47.28 86.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.192 -0.942 . . . . 0.0 108.994 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.61 -40.13 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.401 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttm -60.0 -44.08 94.77 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.117 -0.989 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -42.55 94.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 109.434 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -64.9 -40.01 94.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 109.904 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.8 -40.05 76.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.277 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.85 114.73 4.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -60.04 -43.1 95.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.852 -0.53 . . . . 0.0 109.928 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -95.03 -4.94 45.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.051 -1.031 . . . . 0.0 110.595 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 33.54 69.4 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.267 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -77.41 1.95 17.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.124 -1.221 . . . . 0.0 109.767 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.74 11.23 73.08 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.81 160.08 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.1 t -109.7 104.88 13.94 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.889 -1.132 . . . . 0.0 109.898 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.6 174.84 4.6 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.877 0.846 . . . . 0.0 110.691 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.612 0.72 . . . . 0.0 109.244 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.97 -54.53 45.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 0.0 109.603 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -60.02 -46.37 89.73 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -47.66 -38.15 14.33 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.93 -30.0 70.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.15 -53.12 54.51 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -54.79 -40.23 69.25 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -46.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.9 p -64.56 -42.39 95.7 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.909 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.9 tpp -55.52 -40.02 71.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.108 -0.995 . . . . 0.0 108.684 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.78 -33.23 55.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.83 -46.0 89.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.825 . . . . 0.0 109.022 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.3 p -67.63 -52.33 39.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.104 -0.998 . . . . 0.0 108.758 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.52 -40.11 17.88 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.258 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.272 -0.892 . . . . 0.0 108.935 179.792 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.66 -34.97 73.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -68.61 -34.02 75.04 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.975 -1.078 . . . . 0.0 108.83 179.28 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.62 -43.16 97.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.2 -0.937 . . . . 0.0 109.556 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.99 -40.15 88.19 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 110.042 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.24 78.39 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.595 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.25 -50.01 75.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.239 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.99 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.504 -0.748 . . . . 0.0 110.253 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.97 -41.29 91.66 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.769 -1.207 . . . . 0.0 109.642 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.01 -46.41 89.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 110.159 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -53.56 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.941 -1.1 . . . . 0.0 109.762 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.524 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.34 -41.49 93.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.002 . . . . 0.0 109.473 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.448 HG11 HD23 ' B' ' 3' ' ' LEU . 76.0 t -69.95 -43.87 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.283 -0.885 . . . . 0.0 109.941 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.74 -53.68 52.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.987 -1.071 . . . . 0.0 110.304 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 19' ' ' GLY . 86.2 t60 -59.79 -47.69 84.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.91 -1.119 . . . . 0.0 111.634 -177.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -61.02 -40.34 93.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 119.988 -1.695 . . . . 0.0 109.791 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -71.8 -47.03 56.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.082 -1.011 . . . . 0.0 109.235 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -73.53 -19.39 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.077 -1.015 . . . . 0.0 109.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -84.46 17.8 27.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -85.53 -52.39 5.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.969 -1.312 . . . . 0.0 108.746 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.04 159.97 21.07 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.88 -35.49 12.67 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 2.3 p30 -60.28 136.54 58.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.913 -1.346 . . . . 0.0 109.402 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.36 -70.14 0.56 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.088 -1.008 . . . . 0.0 110.441 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -107.68 8.13 28.84 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.287 -0.883 . . . . 0.0 111.329 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -107.49 129.11 54.99 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.015 -1.053 . . . . 0.0 109.539 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 9.2 mp -99.79 130.04 45.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.277 -0.889 . . . . 0.0 109.385 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' H ' ' HB3' ' A' ' 31' ' ' GLU . 53.1 tttp -92.8 164.8 13.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.638 -0.664 . . . . 0.0 109.628 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -50.32 -51.76 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.959 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.6 m -61.41 -39.96 92.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.091 -1.005 . . . . 0.0 109.402 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 86.3 tt0 -69.5 -40.0 77.27 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.14 -48.23 82.56 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.645 -0.66 . . . . 0.0 109.885 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -59.94 -40.06 87.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.404 -0.81 . . . . 0.0 110.086 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.94 -40.98 90.78 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.869 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -57.44 -44.59 84.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.266 -0.896 . . . . 0.0 109.574 -178.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 39' ' ' GLU . 92.3 mt -70.03 -40.01 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.871 -1.143 . . . . 0.0 109.79 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' OG ' ' A' ' 41' ' ' SER . 98.5 m-20 -62.96 -41.0 99.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.768 -1.207 . . . . 0.0 109.836 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.96 -50.06 10.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.43 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' ILE . 82.2 tt0 -111.65 160.0 17.66 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.549 -0.719 . . . . 0.0 109.855 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 tp 69.93 -12.45 0.48 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.337 -0.852 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 53.9 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.977 -1.077 . . . . 0.0 109.471 179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -69.35 -9.95 55.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.508 -0.745 . . . . 0.0 110.915 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -101.16 -19.94 15.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.813 -1.179 . . . . 0.0 109.831 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD12 ' H ' ' A' ' 46' ' ' GLU . 2.1 pp -163.36 152.41 14.5 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.974 -1.079 . . . . 0.0 110.167 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 54.5 mp0 -133.05 35.64 3.51 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' H ' HD12 ' A' ' 44' ' ' LEU . 98.5 mt-10 -79.98 -9.72 59.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 110.492 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -78.11 129.23 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.847 -1.158 . . . . 0.0 109.472 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -154.87 -44.01 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 109.662 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -113.15 142.79 45.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.96 -38.98 84.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.315 -0.866 . . . . 0.0 109.567 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.05 -33.26 67.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.576 -0.703 . . . . 0.0 109.78 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -70.07 -36.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.1 -41.36 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.568 -0.707 . . . . 0.0 109.142 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.39 -40.1 93.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.139 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.1 -50.07 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -0.98 . . . . 0.0 108.915 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.29 -40.97 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.526 -0.734 . . . . 0.0 109.408 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.7 ttt -67.39 -40.08 85.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.347 -0.845 . . . . 0.0 110.531 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -47.27 86.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.968 -1.083 . . . . 0.0 108.377 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -63.05 -40.02 96.46 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.2 -48.39 81.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.568 -0.708 . . . . 0.0 109.966 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.95 100.85 0.44 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.34 -0.85 . . . . 0.0 110.587 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -40.72 90.4 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.657 -0.652 . . . . 0.0 109.277 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -88.35 -11.89 44.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.143 -0.973 . . . . 0.0 109.938 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.03 31.38 69.55 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -72.4 -4.47 30.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 111.037 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 -6.62 71.59 Favored Glycine 0 N--CA 1.497 2.705 0 O-C-N 120.675 -1.266 . . . . 0.0 110.519 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -136.68 162.83 32.08 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.261 -1.141 . . . . 0.0 108.278 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -104.07 107.39 18.26 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.87 -1.144 . . . . 0.0 109.991 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.54 176.52 5.36 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.049 0.928 . . . . 0.0 111.397 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -60.05 -49.91 75.78 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.004 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.36 -55.08 39.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.342 -0.848 . . . . 0.0 109.263 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -60.02 -44.25 94.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.859 -1.151 . . . . 0.0 108.37 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -48.76 -40.0 27.13 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.5 tpt -69.48 -30.35 68.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.6 -57.32 11.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.036 -1.04 . . . . 0.0 108.402 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -49.96 -39.68 41.46 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.95 -41.25 91.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.9 p -71.63 -49.07 43.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.236 -0.915 . . . . 0.0 109.74 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -52.13 -40.95 62.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.557 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.69 -28.52 27.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 121.077 -1.015 . . . . 0.0 108.564 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 m -69.87 -43.16 72.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -70.03 -59.01 3.17 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.4 -40.85 8.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.707 -0.621 . . . . 0.0 109.787 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.302 -1.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.27 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.78 -34.54 73.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.108 -0.995 . . . . 0.0 109.548 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.527 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -69.03 -33.97 74.46 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.958 -1.089 . . . . 0.0 108.835 179.403 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.67 -42.99 98.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.246 -0.908 . . . . 0.0 109.458 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.06 -40.15 88.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.972 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.51 77.35 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.081 -1.012 . . . . 0.0 108.663 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.14 -50.07 75.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.885 . . . . 0.0 109.189 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.48 -0.763 . . . . 0.0 110.191 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.43 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.81 -1.181 . . . . 0.0 109.529 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.96 -46.68 88.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.988 . . . . 0.0 110.077 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.99 -53.69 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.89 -1.131 . . . . 0.0 109.691 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 95.9 m-20 -60.13 -41.66 93.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.128 -0.982 . . . . 0.0 109.522 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.411 HG11 HD23 ' A' ' 3' ' ' LEU . 60.7 t -70.0 -43.44 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -62.02 -53.68 52.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.982 -1.074 . . . . 0.0 110.328 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' B' ' 19' ' ' GLY . 86.2 t60 -59.82 -47.6 85.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.866 -1.146 . . . . 0.0 111.526 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.0 OUTLIER -61.24 -40.03 92.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.138 -1.601 . . . . 0.0 109.837 -179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -71.98 -46.93 55.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.131 -0.98 . . . . 0.0 109.142 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.7 p -73.71 -19.42 60.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.069 -1.02 . . . . 0.0 109.851 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -84.4 17.72 27.7 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -85.43 -52.29 5.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.008 -1.289 . . . . 0.0 108.782 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.05 159.97 21.06 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.95 -35.41 12.93 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' B' ' 23' ' ' ASP . 2.3 p30 -60.43 136.53 58.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.849 -1.383 . . . . 0.0 109.401 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -81.27 -70.06 0.56 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 110.439 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -107.97 8.31 28.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.324 -0.86 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -107.59 129.08 55.02 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.045 -1.034 . . . . 0.0 109.583 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.477 HD12 ' N ' ' B' ' 27' ' ' LEU . 9.2 mp -99.88 129.92 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.319 -0.863 . . . . 0.0 109.313 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.419 ' H ' ' HB3' ' B' ' 31' ' ' GLU . 53.9 tttp -92.93 164.68 13.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.533 -0.729 . . . . 0.0 109.757 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -50.25 -51.71 42.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.374 -0.828 . . . . 0.0 109.971 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.001 -1.062 . . . . 0.0 109.408 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.419 ' HB3' ' H ' ' B' ' 28' ' ' LYS . 86.0 tt0 -69.4 -40.0 77.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.421 HD23 ' SD ' ' B' ' 57' ' ' MET . 63.1 tp -61.65 -47.85 83.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.708 -0.62 . . . . 0.0 109.834 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.322 -0.861 . . . . 0.0 110.045 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.03 -41.04 91.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 108.835 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.485 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -57.29 -44.68 84.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.617 -178.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' B' ' 39' ' ' GLU . 90.8 mt -70.02 -40.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.89 -1.131 . . . . 0.0 109.862 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.415 ' O ' ' OG ' ' B' ' 41' ' ' SER . 98.6 m-20 -63.08 -40.95 99.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.778 -1.201 . . . . 0.0 109.778 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.93 -50.0 11.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.356 -0.84 . . . . 0.0 109.622 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.473 ' O ' ' O ' ' B' ' 36' ' ' ILE . 80.9 tt0 -111.77 159.94 17.79 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.494 -0.754 . . . . 0.0 109.71 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp 70.0 -12.52 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.424 -0.797 . . . . 0.0 110.562 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 39' ' ' GLU . 54.3 m -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.951 -1.093 . . . . 0.0 109.426 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -69.22 -9.88 55.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.49 -0.756 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -101.19 -20.0 15.48 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.946 -1.096 . . . . 0.0 109.767 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.517 HD12 ' H ' ' B' ' 46' ' ' GLU . 2.1 pp -163.44 152.55 14.48 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.804 -1.185 . . . . 0.0 110.223 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 54.4 mp0 -133.17 35.72 3.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.517 ' H ' HD12 ' B' ' 44' ' ' LEU . 98.5 mt-10 -79.98 -9.71 59.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.513 -0.742 . . . . 0.0 110.52 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.0 128.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.155 . . . . 0.0 109.545 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -154.87 -43.99 0.09 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.271 -0.893 . . . . 0.0 109.659 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -113.12 142.63 45.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.534 -0.729 . . . . 0.0 109.355 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -38.96 84.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.01 -33.25 66.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.578 -0.701 . . . . 0.0 109.684 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.15 -36.28 67.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.963 -1.086 . . . . 0.0 108.09 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.57 -41.43 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -64.96 -40.36 94.88 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.393 -0.817 . . . . 0.0 110.219 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.22 -49.79 74.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.156 -0.965 . . . . 0.0 108.979 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.33 -41.15 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.457 -0.777 . . . . 0.0 109.282 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.421 ' SD ' HD23 ' B' ' 32' ' ' LEU . 27.1 ttt -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.396 -0.815 . . . . 0.0 110.498 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -47.16 86.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.061 -1.024 . . . . 0.0 108.442 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -63.12 -39.96 96.21 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.566 0.698 . . . . 0.0 109.16 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.37 -47.88 84.17 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.31 100.9 0.51 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.637 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.94 -40.9 90.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.66 -0.65 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -88.35 -11.81 45.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.985 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.0 31.13 69.62 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -72.26 -4.54 30.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -1.196 . . . . 0.0 110.987 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.06 -5.91 73.93 Favored Glycine 0 N--CA 1.496 2.691 0 O-C-N 120.705 -1.247 . . . . 0.0 110.54 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -136.97 162.66 32.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -1.137 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 38.1 t -103.81 107.25 18.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.967 -1.083 . . . . 0.0 109.997 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.56 176.52 5.37 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.076 0.941 . . . . 0.0 111.491 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -59.97 -49.88 75.93 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.357 0.598 . . . . 0.0 110.059 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.64 -54.93 40.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.227 -0.921 . . . . 0.0 109.22 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.7 mt-10 -59.95 -44.17 94.58 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.81 -1.181 . . . . 0.0 108.371 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -48.79 -39.99 27.32 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.2 tpt -69.56 -30.18 67.91 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.95 -57.12 11.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.017 -1.052 . . . . 0.0 108.304 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -49.87 -39.8 40.55 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.79 -41.51 92.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.9 p -71.7 -48.95 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 0.0 109.812 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -52.21 -40.72 61.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.8 -28.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.195 -0.941 . . . . 0.0 108.591 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.1 m -69.87 -43.2 72.31 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -69.96 -59.01 3.18 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.56 -40.74 9.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.573 -0.705 . . . . 0.0 109.715 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.0 t . . . . . 0 N--CA 1.489 1.504 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.201 -179.846 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.99 -37.66 80.3 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 110.207 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.02 -35.75 74.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.019 -1.05 . . . . 0.0 109.798 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.0 109.717 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -62.8 -40.1 96.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.105 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.71 89.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.141 -0.974 . . . . 0.0 109.639 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 109.125 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.25 -34.41 53.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.775 -0.578 . . . . 0.0 109.719 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.11 86.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.891 -1.131 . . . . 0.0 109.651 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.7 mp -61.58 -45.83 92.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.085 -1.01 . . . . 0.0 110.723 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.818 -1.176 . . . . 0.0 109.221 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -40.11 88.11 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -41.02 78.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.493 -0.754 . . . . 0.0 109.666 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.25 -57.36 7.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.132 -0.98 . . . . 0.0 110.26 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -59.78 -41.35 90.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.104 -0.997 . . . . 0.0 111.243 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.01 -39.97 75.53 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.293 -1.504 . . . . 0.0 108.835 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 47.2 t80 -73.32 -46.66 48.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.613 -0.68 . . . . 0.0 110.281 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -70.02 -21.08 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.89 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.62 20.71 36.76 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -82.18 -47.75 12.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.19 146.27 33.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.439 -0.788 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.74 -120.71 5.23 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -139.0 147.64 42.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.48 -1.012 . . . . 0.0 109.372 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 55.1 pttt -70.01 144.85 52.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.43 -0.794 . . . . 0.0 109.785 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 3.8 t-80 81.77 13.59 0.59 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -147.9 104.65 3.59 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.47 130.08 47.64 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.173 -0.955 . . . . 0.0 110.507 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -91.23 162.98 14.41 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -59.77 -39.97 86.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.01 -1.056 . . . . 0.0 109.346 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 32.9 t -62.08 -40.04 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 108.952 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.94 -30.76 68.22 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -68.62 -39.95 80.59 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.9 -41.9 98.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.522 -0.736 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mp0 -60.46 -44.34 95.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.044 -1.035 . . . . 0.0 110.082 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.507 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 8.7 tt -59.91 -47.68 84.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.933 . . . . 0.0 110.258 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.18 -46.99 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 110.835 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -70.0 -21.55 63.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.56 -1.59 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.93 -1.106 . . . . 0.0 112.084 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.84 -49.63 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.322 -1.486 . . . . 0.0 111.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.48 120.63 25.73 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.61 -1.306 . . . . 0.0 109.791 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 p -150.47 -35.71 0.15 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.306 -0.871 . . . . 0.0 109.708 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.576 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -79.17 -15.83 57.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.247 -0.908 . . . . 0.0 110.894 -179.204 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.576 ' CE2' ' CE1' ' A' ' 42' ' ' HIS . 64.9 m-85 -102.77 -18.97 14.9 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.019 -1.051 . . . . 0.0 109.473 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 ' C ' ' A' ' 43' ' ' PHE . 10.1 mp -112.86 163.41 14.66 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 57.4 mp0 -71.68 3.29 4.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.847 . . . . 0.0 109.463 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 43.5 tt0 78.51 21.27 0.8 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' GLU . 37.1 mm 46.88 95.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.447 -0.783 . . . . 0.0 109.929 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -80.0 -69.97 0.55 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.631 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -107.27 157.88 17.57 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.485 -0.76 . . . . 0.0 109.764 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.92 -37.77 80.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 0.0 109.756 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.09 39.44 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.264 -0.898 . . . . 0.0 109.915 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.67 -34.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.083 -1.011 . . . . 0.0 108.968 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.449 -0.782 . . . . 0.0 109.93 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.14 -41.87 93.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.278 -0.889 . . . . 0.0 110.408 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.75 -49.91 75.6 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.134 -0.979 . . . . 0.0 108.767 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.16 -40.65 83.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.732 -0.605 . . . . 0.0 109.581 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.58 -51.31 69.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.234 -0.916 . . . . 0.0 110.165 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.03 -41.68 99.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.062 -1.024 . . . . 0.0 108.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.43 -39.94 81.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.08 -39.97 75.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.483 -0.761 . . . . 0.0 109.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.31 104.09 1.41 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.074 -1.016 . . . . 0.0 109.636 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.23 -39.97 94.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.575 -0.703 . . . . 0.0 109.822 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -92.47 -7.62 46.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.24 -0.912 . . . . 0.0 111.265 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.53 73.01 Favored Glycine 0 N--CA 1.493 2.454 0 C-N-CA 119.502 -1.332 . . . . 0.0 109.947 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -70.36 -1.53 10.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.013 -1.287 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.49 -19.5 23.42 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.364 -0.922 . . . . 0.0 110.94 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 27.1 mp0 -124.26 173.65 8.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.155 -1.203 . . . . 0.0 109.055 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.8 104.08 13.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.351 -0.843 . . . . 0.0 109.512 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.14 176.09 4.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.418 -0.801 . . . . 0.0 110.512 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.02 -48.1 83.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.62 -0.675 . . . . 0.0 109.379 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -58.54 -55.13 39.02 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.956 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -43.14 95.54 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.963 -1.085 . . . . 0.0 108.473 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -50.46 -46.67 56.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.56 -39.97 80.83 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.08 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 110.416 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -91.89 -27.71 17.75 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.99 -42.14 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 t -66.78 -45.66 77.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.865 . . . . 0.0 108.942 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.38 -39.95 58.21 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.05 -1.031 . . . . 0.0 109.241 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.7 -29.86 47.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.5 p -81.41 -46.55 14.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 109.441 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 p -70.15 -15.11 62.91 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 109.872 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.79 65.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.251 -0.906 . . . . 0.0 109.048 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 95.3 m . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.58 -0.7 . . . . 0.0 109.305 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.03 -37.55 80.09 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.201 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -69.96 -35.91 74.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.086 -1.009 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -66.32 -40.11 89.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 109.766 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.03 -40.1 96.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.986 -1.071 . . . . 0.0 109.987 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.61 89.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.926 . . . . 0.0 109.847 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.02 -49.74 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.326 -0.859 . . . . 0.0 109.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.26 -34.52 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.1 86.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.961 -1.087 . . . . 0.0 109.638 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.52 -45.94 92.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.111 -0.993 . . . . 0.0 110.714 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.08 -49.96 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.806 -1.184 . . . . 0.0 109.185 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.59 -41.08 77.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.783 . . . . 0.0 109.646 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.21 -57.35 7.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.224 -0.922 . . . . 0.0 110.289 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.7 -41.46 90.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.107 -0.996 . . . . 0.0 111.246 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.94 -40.05 75.72 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.293 -1.504 . . . . 0.0 108.87 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.51 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 46.3 t80 -73.21 -46.94 47.47 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.465 -0.772 . . . . 0.0 110.396 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -70.03 -20.88 63.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.775 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.52 20.5 37.7 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -82.17 -47.62 12.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.121 -1.223 . . . . 0.0 109.452 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.13 146.38 33.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.373 -0.829 . . . . 0.0 109.584 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.77 -120.78 5.25 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -138.94 147.67 42.56 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.492 -1.005 . . . . 0.0 109.366 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 55.5 pttt -70.13 144.68 51.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.336 -0.852 . . . . 0.0 109.812 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 15.9 t60 82.08 13.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -147.89 104.73 3.6 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.48 130.01 47.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.043 -1.036 . . . . 0.0 110.473 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.11 162.92 14.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.72 -40.04 86.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.027 -1.046 . . . . 0.0 109.319 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.443 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 32.6 t -61.96 -40.12 94.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.988 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.93 -30.7 68.17 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.755 0.788 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.5 -39.95 81.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -62.02 -41.89 98.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.589 -0.695 . . . . 0.0 110.627 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 30' ' ' SER . 2.6 mp0 -60.33 -44.52 95.42 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.016 -1.052 . . . . 0.0 110.053 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.51 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 8.9 tt -60.0 -47.41 85.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.151 -0.968 . . . . 0.0 110.299 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.3 -47.0 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.202 -0.937 . . . . 0.0 110.834 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -70.02 -21.36 63.2 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.109 -0.995 . . . . 0.0 111.087 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -86.64 -1.77 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.879 -1.138 . . . . 0.0 112.23 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.64 -49.68 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.282 -1.511 . . . . 0.0 111.544 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -82.23 120.68 25.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.559 -1.338 . . . . 0.0 109.731 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 53.5 p -150.58 -35.73 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.348 -0.845 . . . . 0.0 109.692 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.578 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 0.0 OUTLIER -79.33 -15.82 57.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.33 -0.856 . . . . 0.0 110.847 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.578 ' CE2' ' CE1' ' B' ' 42' ' ' HIS . 64.8 m-85 -102.77 -18.78 14.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.021 -1.049 . . . . 0.0 109.509 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.489 HD12 ' C ' ' B' ' 43' ' ' PHE . 10.2 mp -112.91 163.38 14.72 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 57.3 mp0 -71.75 3.5 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.486 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.6 tt0 78.26 21.35 0.85 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.415 0.626 . . . . 0.0 109.437 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' B' ' 46' ' ' GLU . 36.5 mm 46.92 95.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.443 -0.786 . . . . 0.0 109.957 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -79.96 -70.11 0.54 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.362 -0.836 . . . . 0.0 109.472 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -107.26 158.09 17.4 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.423 -0.798 . . . . 0.0 109.819 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -60.11 -37.65 80.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 0.0 109.674 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.04 39.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.249 -0.907 . . . . 0.0 109.931 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.62 -34.72 71.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.081 -1.012 . . . . 0.0 108.935 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.27 -46.5 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.16 -41.83 93.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.209 -0.932 . . . . 0.0 110.369 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.66 -49.9 75.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.103 -0.998 . . . . 0.0 108.792 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.27 -40.74 83.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.73 -0.606 . . . . 0.0 109.549 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.59 -51.19 69.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.292 -0.88 . . . . 0.0 110.254 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.0 -41.77 99.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 108.809 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -68.32 -39.99 81.78 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.0 -40.41 75.3 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.429 -0.794 . . . . 0.0 109.829 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.72 104.05 1.23 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.148 -0.97 . . . . 0.0 109.643 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.21 -40.0 94.65 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.544 -0.723 . . . . 0.0 109.884 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -92.49 -7.62 46.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.242 -0.911 . . . . 0.0 111.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.42 73.0 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.0 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.431 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 35.4 p-10 -70.12 -1.74 10.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.023 -1.28 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -19.48 23.85 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.355 -0.926 . . . . 0.0 110.862 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 27.1 mp0 -124.22 173.84 8.08 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.151 -1.205 . . . . 0.0 109.036 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.1 m -108.93 104.14 13.32 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.439 -0.788 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.25 176.18 4.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.427 -0.796 . . . . 0.0 110.505 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.0 -48.32 82.21 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.472 0.653 . . . . 0.0 109.292 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -58.44 -55.06 39.88 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.989 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -43.2 95.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.983 -1.073 . . . . 0.0 108.445 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.46 -46.47 56.73 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.8 -39.8 79.91 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.23 -13.1 2.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.051 -1.03 . . . . 0.0 110.411 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -91.72 -27.79 17.84 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.96 -42.32 89.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 45.5 t -66.71 -45.81 77.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 108.904 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.21 -40.03 57.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.147 -0.971 . . . . 0.0 109.308 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.6 -29.8 47.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 109.714 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 58.7 p -81.5 -46.67 14.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.165 -0.959 . . . . 0.0 109.4 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 p -70.03 -15.2 62.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.527 -0.733 . . . . 0.0 109.927 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.85 65.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 109.042 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.6 m . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.345 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.445 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 97.4 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.19 -32.58 74.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 110.215 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.97 -38.14 75.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.1 mp0 -64.33 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.037 -1.039 . . . . 0.0 109.532 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.75 87.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.067 -1.02 . . . . 0.0 109.315 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.92 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.12 -48.02 83.46 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.191 -0.943 . . . . 0.0 109.123 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.05 -37.81 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.533 -0.729 . . . . 0.0 109.35 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.16 78.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.879 -1.138 . . . . 0.0 109.415 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.03 -47.99 83.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.98 -1.075 . . . . 0.0 110.575 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.05 -51.2 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.011 -1.056 . . . . 0.0 110.119 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.03 -40.53 89.68 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.346 -0.846 . . . . 0.0 109.135 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.0 -41.46 79.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.431 -0.793 . . . . 0.0 109.772 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.88 -55.9 28.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.105 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -59.9 -40.1 87.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.119 -0.988 . . . . 0.0 111.586 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.69 -40.31 92.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 119.977 -1.702 . . . . 0.0 110.399 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -71.34 -42.36 68.64 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.259 -0.9 . . . . 0.0 110.089 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.419 ' OG ' HD11 ' A' ' 27' ' ' LEU . 54.6 m -72.95 -13.22 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.645 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.59 13.95 62.69 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 121.142 -0.974 . . . . 0.0 110.824 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -68.92 -39.79 79.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.821 -1.399 . . . . 0.0 109.031 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -96.59 1.5 51.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.553 -0.717 . . . . 0.0 109.68 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.73 -9.97 75.32 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 39.5 p-10 -99.62 106.12 18.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.324 -1.104 . . . . 0.0 109.433 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 64.7 mttp -93.05 146.41 23.66 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.146 -0.971 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 10.6 t-80 74.76 31.39 0.92 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.615 -0.678 . . . . 0.0 109.994 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -158.97 101.04 1.6 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -100.25 121.12 40.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.276 -0.89 . . . . 0.0 111.234 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -92.31 164.53 13.48 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.15 -38.58 73.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.112 -0.992 . . . . 0.0 110.018 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -34.29 74.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.035 -1.041 . . . . 0.0 109.151 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.54 -30.43 64.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.563 -0.711 . . . . 0.0 109.169 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.22 -41.79 89.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.422 -0.798 . . . . 0.0 109.456 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -63.92 -44.88 91.58 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.355 -0.841 . . . . 0.0 110.185 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -42.24 79.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.782 -1.199 . . . . 0.0 109.925 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.518 HD11 ' OE2' ' A' ' 39' ' ' GLU . 57.8 tp -60.16 -49.08 79.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.873 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.19 -47.74 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 0.0 110.41 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -60.04 -41.4 92.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.068 -1.02 . . . . 0.0 111.101 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -72.66 -41.66 65.18 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.012 -1.055 . . . . 0.0 110.896 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.518 ' OE2' HD11 ' A' ' 35' ' ' LEU . 99.9 mt-10 -87.44 -75.06 0.42 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.454 -0.779 . . . . 0.0 111.44 -177.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.8 mp -82.01 120.76 25.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.035 . . . . 0.0 110.597 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -131.26 -60.05 0.96 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -81.82 -10.76 59.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.191 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -98.73 -0.56 42.52 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 tp -145.92 145.02 30.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.024 -1.047 . . . . 0.0 109.187 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 58.2 mp0 -69.93 142.23 52.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 108.9 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 51.5 mp0 -64.64 139.87 58.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -99.98 120.53 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.368 -0.832 . . . . 0.0 109.751 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -96.48 -22.88 16.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.892 . . . . 0.0 109.685 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -115.17 130.03 56.81 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' VAL . 54.5 tt0 -60.74 -38.9 86.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.653 -0.654 . . . . 0.0 110.246 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -46.24 -32.5 3.09 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.159 -0.963 . . . . 0.0 109.617 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.87 -31.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.326 -0.858 . . . . 0.0 108.893 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' GLN . 55.3 t -69.61 -41.15 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 108.869 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.15 -40.01 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.571 -0.706 . . . . 0.0 109.838 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -65.88 -40.62 91.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 108.767 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.05 -40.17 88.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.644 -0.66 . . . . 0.0 109.366 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 ttm -66.17 -44.39 84.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.28 -50.33 74.07 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 109.627 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -70.08 -39.99 75.26 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.509 -0.745 . . . . 0.0 109.651 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.05 -39.76 75.53 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.473 -0.767 . . . . 0.0 109.768 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 65.1 t0 -66.16 110.53 3.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.324 -0.86 . . . . 0.0 110.241 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.06 -49.69 76.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.686 -0.633 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.2 p-10 -94.19 -1.22 54.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.039 -1.038 . . . . 0.0 111.264 -178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.74 71.99 Favored Glycine 0 N--CA 1.49 2.294 0 O-C-N 120.632 -1.293 . . . . 0.0 110.274 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 39.3 p-10 -72.58 -0.86 14.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.358 . . . . 0.0 109.717 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.71 28.37 65.33 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -159.43 159.5 33.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.8 t -113.92 103.54 11.27 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.096 -1.003 . . . . 0.0 109.203 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 35.3 t0 -71.03 175.42 5.2 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.144 0.973 . . . . 0.0 111.242 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.497 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 51.9 t80 -64.04 -44.25 93.07 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.717 0.77 . . . . 0.0 109.201 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -59.41 -54.83 42.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.949 -1.094 . . . . 0.0 109.403 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.0 mt-10 -60.17 -42.23 94.52 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.814 -1.179 . . . . 0.0 108.783 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -46.4 -39.92 11.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.3 mmm -69.05 -28.87 66.93 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.97 -55.58 27.95 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.2 -40.06 61.01 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.89 -43.8 96.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 81' ' ' THR . 66.1 m -71.48 -47.69 53.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.893 . . . . 0.0 110.037 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.2 ttt -51.33 -40.47 59.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.427 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.4 -26.14 38.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' SER . 17.6 m -81.06 -49.92 10.29 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.523 0.678 . . . . 0.0 109.203 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 p -70.71 -16.72 62.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.387 -0.82 . . . . 0.0 110.145 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.04 94.36 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 108.7 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.446 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.24 -32.78 74.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.071 . . . . 0.0 110.185 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.09 -37.69 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.994 -1.066 . . . . 0.0 110.529 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' B' ' 4' ' ' GLU . 1.8 mp0 -64.07 -40.21 95.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.043 -1.036 . . . . 0.0 109.458 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.31 -39.96 88.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.965 -1.084 . . . . 0.0 109.42 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.372 -0.83 . . . . 0.0 109.559 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttm -60.0 -47.93 83.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.099 -1.001 . . . . 0.0 109.053 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.06 -37.48 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.55 -0.719 . . . . 0.0 109.235 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.11 80.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.75 -1.219 . . . . 0.0 109.488 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.94 -48.13 82.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.145 -0.972 . . . . 0.0 110.498 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.91 -51.2 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.904 -1.123 . . . . 0.0 110.171 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.07 -40.35 89.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.95 -41.72 79.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 109.889 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.0 -55.81 29.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.787 -1.196 . . . . 0.0 111.11 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -60.03 -40.01 87.84 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.211 -0.93 . . . . 0.0 111.527 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.82 -39.96 91.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.097 -1.627 . . . . 0.0 110.44 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -71.58 -42.37 67.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.326 -0.858 . . . . 0.0 110.102 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.43 ' OG ' HD11 ' B' ' 27' ' ' LEU . 51.5 m -73.12 -13.05 61.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.0 109.522 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.31 13.62 63.16 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -68.97 -39.79 79.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.835 -1.391 . . . . 0.0 109.272 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -96.7 1.83 51.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.452 -0.78 . . . . 0.0 109.659 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.81 -10.68 72.92 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.448 ' O ' ' OD1' ' B' ' 23' ' ' ASP . 40.1 p-10 -99.0 106.41 18.66 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.238 -1.154 . . . . 0.0 109.44 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 63.9 mttp -93.21 146.41 23.71 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.277 -0.889 . . . . 0.0 109.749 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.421 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 11.1 t-80 74.7 31.06 0.97 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.6 0.714 . . . . 0.0 109.952 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -158.55 101.16 1.67 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.49 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.8 mp -100.35 120.99 40.78 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.156 -0.965 . . . . 0.0 111.247 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -91.72 164.12 13.84 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -56.95 -38.98 73.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.266 -0.896 . . . . 0.0 109.723 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -60.68 -34.46 74.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -72.16 -30.55 65.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.02 -41.69 90.64 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.479 -0.763 . . . . 0.0 109.413 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -63.98 -45.08 90.65 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.204 -0.935 . . . . 0.0 110.244 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.49 -42.4 78.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 109.763 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.497 HD11 ' OE2' ' B' ' 39' ' ' GLU . 54.6 tp -59.88 -49.17 78.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.461 -0.774 . . . . 0.0 110.026 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.94 -47.83 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.837 . . . . 0.0 110.337 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.16 -41.65 93.24 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.949 -1.094 . . . . 0.0 111.029 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -72.12 -41.9 66.7 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.037 -1.039 . . . . 0.0 110.942 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.497 ' OE2' HD11 ' B' ' 35' ' ' LEU . 99.5 mt-10 -87.51 -75.03 0.42 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 111.291 -177.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.496 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.0 mp -82.23 120.78 25.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.954 -1.091 . . . . 0.0 110.628 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 63.1 p -131.2 -60.08 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -81.54 -10.97 59.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.162 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -98.87 -0.9 41.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.348 -0.845 . . . . 0.0 109.956 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.36 145.17 31.08 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.05 -1.031 . . . . 0.0 109.242 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 58.7 mp0 -70.12 142.01 52.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 0.0 108.87 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 52.9 mp0 -64.42 140.03 58.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.298 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.6 mt -100.4 120.56 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.338 -0.851 . . . . 0.0 109.507 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -96.48 -22.24 17.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.053 -1.029 . . . . 0.0 109.711 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -115.41 130.23 56.82 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.292 -0.88 . . . . 0.0 110.822 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' B' ' 53' ' ' VAL . 54.3 tt0 -60.9 -38.91 87.32 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.652 -0.655 . . . . 0.0 110.305 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -46.26 -32.6 3.17 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 -31.25 52.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.289 -0.882 . . . . 0.0 108.922 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.5 t -69.51 -41.34 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.423 -0.798 . . . . 0.0 108.922 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -61.95 -40.12 94.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.982 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.08 -40.12 90.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.153 -0.967 . . . . 0.0 108.845 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.27 -40.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.705 -0.622 . . . . 0.0 109.382 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 5.8 ttm -66.36 -44.26 83.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.328 -0.858 . . . . 0.0 110.043 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.29 -50.36 73.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.405 -0.809 . . . . 0.0 109.725 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.5 m -70.1 -40.24 75.06 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.645 0.736 . . . . 0.0 109.41 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.0 -40.0 75.55 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.674 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 65.3 t0 -65.77 110.59 2.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.259 -0.901 . . . . 0.0 110.344 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.28 -49.35 77.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.767 -0.583 . . . . 0.0 110.77 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 48.5 p-10 -94.56 -0.85 54.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.032 -1.042 . . . . 0.0 111.362 -178.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.74 28.56 71.83 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 119.545 -1.312 . . . . 0.0 110.283 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.505 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 39.6 p-10 -72.56 -1.08 14.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.878 -1.366 . . . . 0.0 109.71 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 26.58 66.51 Favored Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.886 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -158.84 159.51 35.14 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 22.3 t -113.22 103.24 11.14 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.968 -1.082 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.4 t0 -70.9 175.61 4.95 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 122.273 1.035 . . . . 0.0 111.104 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.519 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 52.6 t80 -64.33 -44.17 92.37 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.178 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.18 -55.0 40.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.035 -1.041 . . . . 0.0 109.346 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 75' ' ' ALA . 97.1 mt-10 -59.82 -42.67 94.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.811 -1.181 . . . . 0.0 108.92 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -46.35 -39.94 11.1 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -68.87 -29.23 67.49 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 0.0 108.577 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.08 -55.3 30.4 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.15 -40.06 60.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -43.79 96.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 81' ' ' THR . 70.9 m -71.05 -48.36 53.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.544 -0.723 . . . . 0.0 109.947 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ttt -51.0 -40.42 58.06 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.965 . . . . 0.0 109.586 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 78.0 t -65.75 -25.85 37.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.432 ' N ' ' O ' ' B' ' 78' ' ' SER . 15.7 m -81.39 -49.88 10.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -70.64 -16.98 62.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.1 94.93 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 108.681 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.259 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -59.97 -39.28 85.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.281 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -70.76 -36.13 72.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.859 -1.151 . . . . 0.0 109.419 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 85.8 tt0 -69.36 -40.06 77.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.034 -1.042 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.94 -39.86 86.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.578 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -60.01 -46.98 87.71 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.2 ttp -61.58 -50.54 72.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.404 -0.81 . . . . 0.0 109.555 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -40.11 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 90.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.286 -0.884 . . . . 0.0 109.694 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.93 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.93 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.092 . . . . 0.0 109.109 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.99 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.277 -0.89 . . . . 0.0 108.705 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.45 -40.07 83.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.45 -54.75 31.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.136 -0.977 . . . . 0.0 110.547 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.97 -41.19 91.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.15 -0.968 . . . . 0.0 111.755 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.28 -40.06 77.98 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.403 -1.436 . . . . 0.0 110.157 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -74.96 -45.82 39.7 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.484 -0.887 . . . . 0.0 110.275 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -70.37 -20.16 62.98 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 110.127 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.19 20.69 20.04 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -88.65 -55.81 3.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.273 . . . . 0.0 108.77 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -139.85 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.87 179.04 33.36 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -60.11 -54.47 45.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.239 . . . . 0.0 109.648 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -176.77 -66.63 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.437 -0.789 . . . . 0.0 110.008 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.626 ' CE1' ' NZ ' ' A' ' 26' ' ' LYS . 29.1 p-80 -109.51 25.04 12.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.109 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 25' ' ' HIS . 13.9 mptt -105.26 121.55 44.09 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -98.09 121.97 40.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.342 -0.849 . . . . 0.0 109.152 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -90.93 163.36 14.39 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.933 -1.104 . . . . 0.0 108.988 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.2 p -63.91 -40.04 95.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.03 -1.044 . . . . 0.0 108.561 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.03 -32.56 70.76 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.616 0.722 . . . . 0.0 109.189 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.98 -40.53 75.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 109.57 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -63.41 -40.08 96.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.364 -0.835 . . . . 0.0 109.988 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.8 -43.59 83.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 109.309 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.517 HD11 ' CD ' ' A' ' 39' ' ' GLU . 60.8 tp -59.93 -46.5 89.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.501 -0.749 . . . . 0.0 109.348 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.2 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.737 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -39.96 94.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.126 -0.984 . . . . 0.0 110.304 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -78.88 -51.55 9.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.172 -0.955 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.517 ' CD ' HD11 ' A' ' 35' ' ' LEU . 97.2 mt-10 -86.04 -73.93 0.43 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.074 -1.016 . . . . 0.0 111.439 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 36' ' ' ILE . 5.4 mp -88.79 94.9 10.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.863 -1.148 . . . . 0.0 110.857 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 t -140.37 -36.06 0.49 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -73.55 -7.0 50.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.62 -0.675 . . . . 0.0 110.404 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CZ ' ' OE2' ' B' ' 4' ' ' GLU . 84.7 m-85 -113.9 -9.53 13.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.066 -1.021 . . . . 0.0 109.031 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.7 mp -107.31 174.67 5.78 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.836 0.827 . . . . 0.0 110.347 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -89.52 13.81 12.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.764 -0.585 . . . . 0.0 110.042 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.02 96.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.4 -0.812 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 93.3 mt -67.26 123.89 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.037 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -103.54 -24.77 13.39 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.599 -0.688 . . . . 0.0 109.938 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -100.55 136.48 40.36 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.207 -0.933 . . . . 0.0 110.273 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -68.75 -39.94 80.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.329 -0.857 . . . . 0.0 109.56 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.36 -31.95 55.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.82 . . . . 0.0 109.799 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.41 -33.88 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.99 -44.64 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.09 -49.94 75.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.681 -0.637 . . . . 0.0 109.896 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -59.92 -49.93 75.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.01 -40.96 89.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tpt -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.319 -0.863 . . . . 0.0 109.709 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.0 -41.99 93.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.142 -0.974 . . . . 0.0 108.915 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -66.57 -40.02 88.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.48 -0.762 . . . . 0.0 109.317 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -71.68 -41.16 69.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.618 -0.677 . . . . 0.0 109.905 -179.743 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.62 99.62 0.61 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.031 -1.043 . . . . 0.0 110.657 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.09 -39.9 90.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 108.947 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -86.41 -10.78 53.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.494 -0.754 . . . . 0.0 110.387 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.68 74.11 Favored Glycine 0 N--CA 1.492 2.42 0 C-N-CA 119.872 -1.156 . . . . 0.0 110.279 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 38.2 p-10 -72.54 -5.67 38.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.94 -1.329 . . . . 0.0 110.244 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.01 -9.18 40.01 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.748 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 14.6 pt-20 -137.95 164.5 28.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.933 -1.333 . . . . 0.0 107.784 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.81 107.71 17.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.847 -1.158 . . . . 0.0 110.095 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -72.88 -179.04 2.98 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.79 0.805 . . . . 0.0 110.487 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.06 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.349 0.595 . . . . 0.0 110.216 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.488 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 25.8 mp0 -58.64 -54.62 45.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.097 -1.002 . . . . 0.0 109.752 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -41.06 91.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.919 -1.113 . . . . 0.0 108.324 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -51.53 -39.95 58.71 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -65.9 -28.36 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.189 -0.945 . . . . 0.0 108.988 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.34 -53.65 33.76 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.17 -40.0 45.45 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -41.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 81' ' ' THR . 59.7 p -70.07 -48.19 58.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ttt -47.93 -40.57 22.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.37 -0.831 . . . . 0.0 109.427 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.92 -27.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' SER . 12.4 m -83.06 -47.21 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -69.02 -16.56 63.74 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.603 -0.686 . . . . 0.0 109.959 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.29 -64.66 1.05 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 108.62 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.671 -0.643 . . . . 0.0 109.621 -179.861 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 58.4 mp0 -59.95 -39.47 85.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.915 . . . . 0.0 110.308 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.58 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.0 OUTLIER -70.8 -36.03 72.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.096 . . . . 0.0 109.413 179.557 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.489 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 86.3 tt0 -69.57 -39.92 77.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.993 -1.067 . . . . 0.0 110.236 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.07 -39.86 87.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.218 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.578 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -60.03 -46.88 88.04 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.9 ttp -61.85 -50.35 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.157 -0.964 . . . . 0.0 109.026 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.88 90.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.842 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.98 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.295 -0.878 . . . . 0.0 110.067 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.061 -1.025 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 108.654 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.55 -40.06 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -0.95 . . . . 0.0 109.158 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.53 -54.74 31.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.178 -0.951 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -60.06 -40.71 90.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.087 -1.008 . . . . 0.0 111.825 -177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.43 -39.92 77.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.367 -1.458 . . . . 0.0 110.162 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -75.37 -45.39 39.56 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 110.253 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -70.28 -20.52 63.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.218 -0.926 . . . . 0.0 110.084 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.99 20.62 19.45 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.74 -55.8 3.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.011 -1.288 . . . . 0.0 108.803 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.82 159.85 41.24 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.4 179.29 32.54 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' B' ' 23' ' ' ASP . 35.7 t0 -60.52 -54.85 40.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.212 -1.17 . . . . 0.0 109.494 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -176.25 -66.72 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 110.072 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.659 ' CE1' ' HZ2' ' B' ' 26' ' ' LYS . 27.2 p-80 -109.38 25.29 11.97 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.47 -0.768 . . . . 0.0 109.978 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.659 ' HZ2' ' CE1' ' B' ' 25' ' ' HIS . 13.6 mptt -105.23 121.48 43.94 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 91.8 mt -97.82 121.74 40.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.271 -0.893 . . . . 0.0 109.186 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -91.08 163.5 14.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -59.96 -40.02 87.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.957 -1.089 . . . . 0.0 109.066 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -63.64 -39.96 95.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.969 -1.082 . . . . 0.0 108.573 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.04 -32.7 70.95 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.627 0.727 . . . . 0.0 109.168 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.93 -40.68 75.38 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.619 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -63.37 -40.27 96.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.394 -0.816 . . . . 0.0 109.88 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -66.57 -43.77 84.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.105 -0.997 . . . . 0.0 109.396 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.519 HD11 ' CD ' ' B' ' 39' ' ' GLU . 62.1 tp -59.88 -47.07 87.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.143 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' B' ' 40' ' ' LEU . 93.1 mt -61.39 -44.18 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.186 -0.946 . . . . 0.0 109.767 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.44 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 110.338 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -79.12 -51.65 9.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.519 ' CD ' HD11 ' B' ' 35' ' ' LEU . 98.1 mt-10 -85.84 -73.58 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.029 -1.044 . . . . 0.0 111.495 -177.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 36' ' ' ILE . 5.3 mp -89.0 94.74 10.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -140.2 -36.24 0.49 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -73.32 -7.12 50.24 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.58 -0.7 . . . . 0.0 110.482 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 4' ' ' GLU . 83.5 m-85 -113.81 -9.83 13.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.077 -1.014 . . . . 0.0 108.963 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.488 ' N ' HD12 ' B' ' 44' ' ' LEU . 10.8 mp -106.99 174.73 5.76 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.86 0.838 . . . . 0.0 110.385 -178.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.46 13.72 13.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.849 -0.532 . . . . 0.0 109.968 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.03 96.24 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.578 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.45 123.96 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 110.022 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -103.76 -24.38 13.33 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.535 -0.728 . . . . 0.0 109.975 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -100.8 136.65 40.33 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.162 -0.961 . . . . 0.0 110.151 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -68.68 -40.06 80.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.824 . . . . 0.0 109.447 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.18 -32.16 54.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.448 -0.783 . . . . 0.0 109.744 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.38 -33.97 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 0.0 108.841 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.94 -44.75 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.96 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.521 -0.737 . . . . 0.0 109.996 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.96 -49.8 76.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 108.362 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.9 -40.97 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.619 -0.676 . . . . 0.0 109.295 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.5 tpt -60.02 -50.07 75.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 0.0 109.786 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 0.0 108.876 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -66.54 -40.05 88.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.772 . . . . 0.0 109.342 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.577 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -71.24 -41.88 69.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.625 -0.672 . . . . 0.0 109.866 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -66.29 99.82 0.57 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.93 -1.106 . . . . 0.0 110.721 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.19 -39.62 89.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.954 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -86.63 -10.67 53.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.442 -0.786 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.91 24.36 74.34 Favored Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.809 -1.186 . . . . 0.0 110.174 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 38.4 p-10 -72.33 -5.92 39.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.966 -1.314 . . . . 0.0 110.351 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.27 -9.38 40.93 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.732 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.435 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 14.6 pt-20 -137.93 164.47 28.93 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.054 -1.262 . . . . 0.0 107.869 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.4 t -109.82 107.7 17.76 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.856 -1.153 . . . . 0.0 110.015 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -72.74 -179.42 3.1 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.719 0.771 . . . . 0.0 110.455 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.05 -49.62 76.93 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.476 0.655 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.484 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 25.8 mp0 -58.58 -54.96 41.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.106 -0.996 . . . . 0.0 109.725 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.959 -1.088 . . . . 0.0 108.356 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 92.3 t80 -51.33 -39.93 58.0 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.781 -0.768 . . . . 0.0 108.968 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.4 tpt -65.79 -28.54 69.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.67 -53.27 35.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 0.0 108.683 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.04 -39.94 43.34 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.2 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.518 ' O ' ' N ' ' B' ' 81' ' ' THR . 60.0 p -69.97 -48.31 58.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.83 . . . . 0.0 109.398 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.3 ttt -48.13 -40.54 23.94 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.271 -0.893 . . . . 0.0 109.339 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -68.61 -27.77 37.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.518 ' N ' ' O ' ' B' ' 78' ' ' SER . 12.3 m -82.92 -47.5 11.73 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.759 0.79 . . . . 0.0 109.109 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -68.49 -16.78 64.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.714 -0.616 . . . . 0.0 109.976 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.46 -64.82 1.02 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.509 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.498 -0.751 . . . . 0.0 109.66 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -35.41 75.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.202 -0.936 . . . . 0.0 110.196 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.5 -33.27 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.814 -1.179 . . . . 0.0 109.813 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.21 -41.97 99.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.03 -39.91 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.3 -0.875 . . . . 0.0 110.004 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.52 85.46 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 67.1 mtt -59.91 -47.41 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.051 -1.031 . . . . 0.0 109.291 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -59.96 -40.07 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.613 -0.68 . . . . 0.0 110.97 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.3 93.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.64 -1.287 . . . . 0.0 110.503 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.98 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.884 -1.135 . . . . 0.0 109.539 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.99 -51.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.933 -1.105 . . . . 0.0 109.717 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -42.84 94.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 109.847 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.9 -42.03 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.13 -53.67 55.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.137 -0.977 . . . . 0.0 110.027 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.96 -43.67 94.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 112.077 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.72 -39.95 76.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.304 -1.498 . . . . 0.0 109.513 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CZ ' ' NH2' ' A' ' 20' ' ' ARG . 65.2 t80 -69.06 -46.22 68.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.528 -0.732 . . . . 0.0 109.17 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -76.12 -18.05 59.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.62 13.67 61.86 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.596 ' NH2' ' CZ ' ' A' ' 17' ' ' TYR . 85.3 mtm180 -72.15 -39.65 68.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.874 -1.368 . . . . 0.0 108.499 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.544 ' C ' ' H ' ' A' ' 23' ' ' ASP . 31.6 mp0 -108.92 161.55 15.04 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.38 37.17 0.12 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 21' ' ' GLU . 43.4 p-10 -125.75 92.32 3.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.36 -1.083 . . . . 0.0 108.86 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 99.0 mttt -100.09 122.76 43.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.169 -0.957 . . . . 0.0 111.253 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.3 t-80 87.94 28.91 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.132 0.492 . . . . 0.0 110.905 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -170.86 123.59 0.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.8 mt -109.75 142.74 40.55 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.797 0.808 . . . . 0.0 110.799 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -97.3 167.65 10.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -58.01 -39.61 78.73 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -59.96 -38.25 81.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.016 -1.053 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.04 -34.55 73.38 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.12 -42.43 76.07 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.716 -0.615 . . . . 0.0 109.407 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -66.96 -40.02 87.38 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.336 -0.853 . . . . 0.0 110.225 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 88.1 tt0 -59.98 -42.95 95.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.061 -1.024 . . . . 0.0 109.546 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.98 -43.05 91.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.8 mt -62.08 -42.68 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.105 -0.997 . . . . 0.0 109.347 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.09 -45.36 93.21 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 109.566 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -80.71 -42.96 21.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.549 -0.719 . . . . 0.0 110.803 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 36' ' ' ILE . 23.2 tp10 -113.61 164.85 13.14 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.381 -0.824 . . . . 0.0 110.294 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mp 61.31 21.35 11.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.364 -0.835 . . . . 0.0 110.371 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.7 m -64.03 -45.71 87.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 109.411 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -81.46 -24.12 37.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.219 -0.926 . . . . 0.0 110.115 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -98.54 0.03 44.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.72 134.05 7.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.908 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 42.5 mp0 -72.4 140.85 48.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.861 . . . . 0.0 109.411 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.66 136.99 58.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.17 -0.956 . . . . 0.0 108.736 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.3 mt -107.02 119.98 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.42 -0.8 . . . . 0.0 109.284 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -96.32 -13.0 23.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 57.4 mp0 -99.59 118.8 36.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.087 -1.008 . . . . 0.0 109.705 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.04 -39.24 94.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.375 -0.828 . . . . 0.0 109.47 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -53.81 -35.37 61.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.505 -0.747 . . . . 0.0 109.605 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.2 -36.34 67.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.854 -1.154 . . . . 0.0 108.315 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.97 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -59.98 -40.39 88.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.73 -44.3 97.18 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.02 -1.05 . . . . 0.0 109.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.97 -41.88 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.315 -0.865 . . . . 0.0 109.542 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 ttt -60.16 -47.68 84.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.352 -0.842 . . . . 0.0 110.971 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.06 -41.05 91.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.945 -1.097 . . . . 0.0 109.095 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.01 95.18 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.577 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -72.41 -39.98 67.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.49 -0.757 . . . . 0.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.74 93.79 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.027 -1.046 . . . . 0.0 110.645 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.6 mp0 -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.152 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -82.47 -15.52 52.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.935 . . . . 0.0 110.277 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.09 29.93 70.2 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 42.8 p-10 -76.47 0.09 21.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.121 -1.223 . . . . 0.0 110.523 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.11 2.02 65.05 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.783 -1.198 . . . . 0.0 110.223 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 98.6 mt-10 -139.92 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -106.95 108.44 19.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.867 -1.146 . . . . 0.0 109.078 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -70.23 -178.73 1.75 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.288 -0.882 . . . . 0.0 110.173 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.98 -50.06 75.25 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.536 0.684 . . . . 0.0 109.584 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.41 -52.18 66.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 109.614 -177.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.02 -44.27 94.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.625 -1.297 . . . . 0.0 108.188 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -47.14 -42.66 19.81 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' VAL . 96.5 mmm -70.09 -39.98 75.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.94 -12.86 0.91 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.939 -1.1 . . . . 0.0 110.184 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -91.73 -30.28 16.35 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' MET . 54.6 t -66.33 -39.92 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.732 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.8 p -71.32 -50.49 31.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 110.159 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 ttt -54.26 -39.97 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.983 -1.073 . . . . 0.0 108.683 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.99 -33.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -62.62 -43.04 99.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.413 -0.804 . . . . 0.0 109.176 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -70.44 -51.98 25.5 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.143 -0.973 . . . . 0.0 108.705 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.43 -39.79 23.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.502 -0.749 . . . . 0.0 109.516 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.0 109.309 -179.493 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.05 -35.05 74.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.09 -33.21 74.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.802 -1.187 . . . . 0.0 109.649 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.94 -42.19 99.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 109.94 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.903 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.63 85.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.486 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.04 -47.25 86.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.105 -0.997 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.04 -40.03 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.575 -0.703 . . . . 0.0 111.049 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.96 94.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.675 -1.265 . . . . 0.0 110.632 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.03 -49.43 77.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.04 -1.038 . . . . 0.0 109.505 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -51.9 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.991 -1.068 . . . . 0.0 109.82 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.1 -42.76 95.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.73 -42.28 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 109.472 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.06 -53.73 54.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.058 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.92 -43.63 94.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.185 -0.947 . . . . 0.0 112.097 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.74 -40.01 76.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.32 -1.488 . . . . 0.0 109.358 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.594 ' CZ ' ' NH2' ' B' ' 20' ' ' ARG . 64.7 t80 -69.06 -46.2 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 109.287 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.0 t -76.07 -18.1 59.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.56 13.56 62.05 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.594 ' NH2' ' CZ ' ' B' ' 17' ' ' TYR . 84.7 mtm180 -72.08 -39.52 68.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.761 -1.435 . . . . 0.0 108.602 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' B' ' 23' ' ' ASP . 31.6 mp0 -108.99 161.57 15.03 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.58 37.4 0.13 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' B' ' 21' ' ' GLU . 43.8 p-10 -125.77 92.09 3.53 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -1.092 . . . . 0.0 108.895 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 99.2 mttt -99.91 123.03 43.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.152 -0.968 . . . . 0.0 111.297 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.3 t-80 87.86 28.77 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.091 0.472 . . . . 0.0 110.901 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -170.8 123.55 0.63 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.207 -0.933 . . . . 0.0 109.157 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -109.78 142.59 40.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.836 0.827 . . . . 0.0 110.883 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -97.15 167.6 10.95 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -57.97 -39.6 78.57 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.5 p -60.07 -38.18 82.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 108.769 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.0 -34.55 73.47 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 108.731 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.24 -42.16 76.02 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -67.06 -40.0 86.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.167 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.53 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 87.8 tt0 -60.01 -43.06 95.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.039 -1.038 . . . . 0.0 109.535 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.93 -42.94 90.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.595 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' B' ' 39' ' ' GLU . 85.9 mt -62.15 -42.65 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 109.337 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -60.05 -45.36 93.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.817 -1.177 . . . . 0.0 109.466 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.74 -43.06 20.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.518 -0.739 . . . . 0.0 110.767 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' B' ' 36' ' ' ILE . 23.3 tp10 -113.48 165.01 12.9 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.399 -0.813 . . . . 0.0 110.327 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp 61.15 21.4 11.83 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.859 . . . . 0.0 110.397 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 62.2 m -64.01 -45.75 87.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.943 -1.098 . . . . 0.0 109.406 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -81.47 -24.33 36.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.38 0.02 44.56 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.276 -0.89 . . . . 0.0 110.099 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.63 134.05 7.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.06 -1.025 . . . . 0.0 108.897 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 42.6 mp0 -72.34 140.94 48.77 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.277 -0.89 . . . . 0.0 109.51 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.71 136.92 58.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.971 . . . . 0.0 108.721 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -106.88 120.05 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.532 -0.73 . . . . 0.0 109.3 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -96.36 -12.88 23.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.4 mp0 -99.86 118.74 36.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.217 -0.927 . . . . 0.0 109.66 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.15 -39.19 93.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.303 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -53.6 -35.53 60.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 109.666 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.01 -36.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.002 -1.061 . . . . 0.0 108.379 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.95 -40.05 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.683 -0.636 . . . . 0.0 109.285 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -59.92 -40.37 88.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.357 -0.839 . . . . 0.0 110.18 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.81 -44.42 96.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.036 -1.04 . . . . 0.0 108.974 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.99 -41.83 79.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.24 -0.913 . . . . 0.0 109.678 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.4 ttt -60.22 -47.61 85.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.986 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -41.1 91.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.921 -1.112 . . . . 0.0 109.149 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.03 95.25 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 109.466 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.32 -40.5 67.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.57 94.45 0.99 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.67 -1.269 . . . . 0.0 110.688 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.0 mp0 -60.05 -40.02 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.093 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -82.53 -15.26 53.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.259 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.98 29.86 70.46 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 42.8 p-10 -76.39 -0.08 21.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.205 -1.174 . . . . 0.0 110.517 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.26 2.12 66.19 Favored Glycine 0 N--CA 1.491 2.34 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.264 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 98.6 mt-10 -139.97 159.99 40.94 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.3 t -106.89 108.37 19.85 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.929 -1.107 . . . . 0.0 109.058 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -70.12 -178.81 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.274 -0.891 . . . . 0.0 110.148 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.06 -49.89 75.86 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.495 0.664 . . . . 0.0 109.67 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -59.48 -52.16 66.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 109.639 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.96 -44.31 94.51 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.684 -1.26 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -47.18 -42.57 20.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.44 ' O ' ' N ' ' B' ' 77' ' ' VAL . 97.2 mmm -70.02 -39.98 75.49 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.99 -12.88 0.93 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.947 -1.095 . . . . 0.0 110.202 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.86 -30.03 16.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' B' ' 74' ' ' MET . 54.6 t -66.4 -39.98 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.72 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 82.9 p -71.35 -50.39 32.79 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.024 -1.047 . . . . 0.0 110.2 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.7 ttt -54.26 -40.04 67.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.959 -1.088 . . . . 0.0 108.635 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 45.8 t -69.91 -33.45 55.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 0.0 109.16 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.6 p -70.48 -51.86 26.07 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.061 -1.024 . . . . 0.0 108.701 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.56 -39.81 24.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.772 . . . . 0.0 109.515 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.232 -0.918 . . . . 0.0 109.327 -179.482 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.256 0.55 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.04 -35.77 75.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.208 -0.933 . . . . 0.0 110.33 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.578 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -67.49 -33.23 74.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.706 -1.246 . . . . 0.0 109.861 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.13 -44.24 95.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.052 -1.03 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.82 -38.89 86.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.338 -0.851 . . . . 0.0 110.275 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.27 78.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.83 -45.0 75.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.973 -1.079 . . . . 0.0 109.728 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.13 -40.61 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.162 -0.961 . . . . 0.0 110.229 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.15 95.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.826 -1.171 . . . . 0.0 110.381 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.25 -45.91 91.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 110.152 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.22 -51.05 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.935 -1.103 . . . . 0.0 109.188 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.01 -41.48 92.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.847 . . . . 0.0 109.431 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.94 -41.51 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 109.432 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -63.72 -58.62 6.31 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 111.123 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -60.17 -40.24 89.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.998 -1.064 . . . . 0.0 111.774 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.13 -41.12 74.34 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.385 -1.447 . . . . 0.0 109.829 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.475 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 48.7 t80 -74.64 -41.33 60.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.805 . . . . 0.0 109.602 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -70.05 -21.37 63.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.473 -0.767 . . . . 0.0 109.506 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 22.72 15.77 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 75.5 ttt-85 -71.21 -39.99 71.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.264 -1.139 . . . . 0.0 109.438 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.8 mm-40 -108.05 160.01 16.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.537 -0.727 . . . . 0.0 109.644 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.76 -16.59 0.13 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.2 m-20 -85.98 107.43 17.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.006 -1.291 . . . . 0.0 109.41 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 88.7 tttt -100.22 125.92 46.45 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.391 -0.818 . . . . 0.0 110.408 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 4.4 t-80 77.86 41.58 0.13 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.487 0.661 . . . . 0.0 109.849 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 27' ' ' LEU . 33.5 tptt -160.96 120.15 2.59 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.5 mm? -97.64 113.43 25.17 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.155 -0.966 . . . . 0.0 110.061 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 32' ' ' LEU . 58.9 tttp -87.5 160.37 18.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.644 -0.66 . . . . 0.0 109.283 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -55.63 -49.96 71.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 109.641 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 t -61.02 -39.99 91.86 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.96 -1.088 . . . . 0.0 108.253 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -69.89 -31.47 69.29 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 28' ' ' LYS . 59.9 tp -69.98 -40.41 75.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.573 -0.705 . . . . 0.0 109.104 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -63.54 -39.81 95.38 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 88.2 tt0 -60.35 -44.97 95.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.109 -0.995 . . . . 0.0 110.442 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 6.5 tt -60.09 -49.66 76.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.336 -0.852 . . . . 0.0 110.778 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 40' ' ' LEU . 91.2 mt -60.42 -49.82 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.981 -1.074 . . . . 0.0 109.894 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.21 -40.71 94.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.42 -0.8 . . . . 0.0 111.227 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -85.16 -57.35 3.12 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.821 -1.174 . . . . 0.0 112.023 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -80.11 -70.2 0.54 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.834 -1.166 . . . . 0.0 111.564 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 36' ' ' ILE . 79.9 mt -91.37 86.08 5.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.866 -1.146 . . . . 0.0 110.622 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -136.35 -21.03 1.38 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.675 -0.641 . . . . 0.0 109.364 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.01 -14.72 62.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.235 -0.916 . . . . 0.0 110.305 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -104.19 -18.55 14.45 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.098 -1.001 . . . . 0.0 109.303 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.68 149.88 33.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -159.9 26.55 0.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.69 -1.72 58.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.191 -0.943 . . . . 0.0 110.23 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.8 mt -94.53 119.4 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -137.9 -28.15 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.529 -0.732 . . . . 0.0 109.286 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 47.0 tp10 -101.44 139.4 37.16 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.37 -0.831 . . . . 0.0 109.185 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.89 -40.13 87.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.93 -1.107 . . . . 0.0 109.605 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 16.1 tm-20 -50.28 -32.56 17.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.482 -0.761 . . . . 0.0 108.973 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.35 -37.17 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.899 . . . . 0.0 108.986 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.21 -41.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.484 -0.76 . . . . 0.0 109.087 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.19 -45.43 93.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.457 -0.777 . . . . 0.0 110.72 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.72 -44.94 95.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.1 t -69.25 -40.33 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.507 -0.746 . . . . 0.0 109.336 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.5 ttt -63.16 -41.86 99.33 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.48 -0.763 . . . . 0.0 110.025 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.29 -46.17 90.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 109.186 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -67.95 -39.9 83.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.408 -0.808 . . . . 0.0 108.87 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.81 -45.87 91.98 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.555 -0.716 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -68.29 104.59 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.59 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 tp10 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -92.26 -9.62 41.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.087 -1.008 . . . . 0.0 110.866 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.72 30.92 75.01 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -70.98 -3.41 19.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.138 -1.213 . . . . 0.0 110.521 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.08 71.96 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 120.852 -1.155 . . . . 0.0 110.913 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -140.88 160.46 40.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.315 . . . . 0.0 108.168 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.7 m -104.75 111.58 24.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.923 -1.111 . . . . 0.0 109.747 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.01 -176.97 1.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.978 0.894 . . . . 0.0 110.602 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.63 -49.95 75.47 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.628 0.728 . . . . 0.0 109.85 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -58.85 -52.31 66.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 0.0 109.827 -177.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -60.04 -43.2 95.49 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.706 -1.246 . . . . 0.0 108.129 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -50.08 -39.81 43.62 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.7 mmm -68.1 -28.36 67.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.382 -0.823 . . . . 0.0 109.164 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.77 -56.22 14.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.108 -0.995 . . . . 0.0 108.624 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -51.08 -40.09 57.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.33 -45.12 96.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 81' ' ' THR . 60.1 p -63.56 -44.35 94.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.269 -0.894 . . . . 0.0 109.379 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 83' ' ' ALA . 60.2 ttm -49.41 -42.51 42.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.937 . . . . 0.0 108.988 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.74 -31.14 51.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 78' ' ' SER . 35.8 m -78.31 -47.77 17.08 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -70.96 -14.75 62.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.443 -0.786 . . . . 0.0 109.377 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.41 -40.6 97.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.337 -0.852 . . . . 0.0 109.221 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.263 -0.898 . . . . 0.0 109.004 -179.866 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.71 -35.86 75.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.135 -0.978 . . . . 0.0 110.363 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.58 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.9 mm? -67.44 -32.85 73.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.588 -1.32 . . . . 0.0 109.796 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.46 -44.58 95.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 109.562 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -60.22 -39.44 86.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.733 . . . . 0.0 110.197 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.52 77.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.26 -0.9 . . . . 0.0 109.822 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.68 -44.74 77.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 109.978 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.53 -40.3 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.11 -0.994 . . . . 0.0 110.099 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.17 95.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 110.248 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.27 -46.2 90.65 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.1 -51.19 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.993 -1.067 . . . . 0.0 109.527 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.05 -40.88 90.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.333 -0.854 . . . . 0.0 109.427 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -41.58 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.204 -0.935 . . . . 0.0 109.507 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -64.19 -58.41 6.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.321 -0.862 . . . . 0.0 110.903 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -59.93 -40.13 87.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.0 -1.062 . . . . 0.0 111.76 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -70.12 -41.04 74.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.367 -1.458 . . . . 0.0 110.184 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.475 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 50.0 t80 -74.76 -41.85 59.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.692 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -70.01 -20.89 63.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.439 -0.788 . . . . 0.0 109.432 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.6 22.06 18.94 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 76.2 ttt-85 -70.96 -40.17 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -1.156 . . . . 0.0 109.482 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -107.96 159.92 16.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.477 -0.764 . . . . 0.0 109.564 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.65 -15.59 0.16 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' B' ' 21' ' ' GLU . 99.2 m-20 -86.05 107.26 17.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.079 -1.248 . . . . 0.0 109.209 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 88.2 tttt -100.08 125.72 46.2 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.239 -0.913 . . . . 0.0 110.566 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 4.7 t-80 77.75 41.69 0.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.539 0.685 . . . . 0.0 109.882 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.45 ' C ' HD22 ' B' ' 27' ' ' LEU . 33.3 tptt -160.89 120.22 2.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.556 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.4 mm? -97.31 113.82 25.51 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.101 -0.999 . . . . 0.0 110.051 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' B' ' 32' ' ' LEU . 58.5 tttp -87.8 160.36 18.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.643 -0.661 . . . . 0.0 109.453 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' B' ' 28' ' ' LYS . 74.0 tttt -55.83 -49.83 72.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 109.53 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -61.09 -39.69 90.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.945 -1.097 . . . . 0.0 108.343 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -70.02 -31.72 69.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.599 0.714 . . . . 0.0 109.077 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 28' ' ' LYS . 59.9 tp -70.08 -40.17 75.15 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -63.57 -40.23 96.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.07 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 87.7 tt0 -59.97 -45.37 92.9 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.249 -0.907 . . . . 0.0 110.386 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.6 tt -59.96 -49.06 79.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.269 -0.894 . . . . 0.0 110.737 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' B' ' 40' ' ' LEU . 94.1 mt -61.05 -50.09 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.799 -1.188 . . . . 0.0 109.829 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.21 -40.12 92.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 111.265 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -85.61 -57.27 3.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.752 -1.218 . . . . 0.0 112.05 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.9 -70.27 0.53 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 111.594 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' B' ' 36' ' ' ILE . 82.0 mt -91.53 86.26 5.98 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.894 -1.129 . . . . 0.0 110.615 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.6 p -136.45 -21.47 1.34 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.88 -14.69 62.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.286 -0.884 . . . . 0.0 110.475 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.13 -17.4 14.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.123 -0.986 . . . . 0.0 109.308 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 pp -148.75 149.76 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.164 -0.96 . . . . 0.0 109.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -159.9 27.02 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -89.94 -1.86 58.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.296 -0.878 . . . . 0.0 110.285 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.7 mt -94.48 119.83 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.036 . . . . 0.0 109.671 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -138.31 -27.64 0.87 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.483 -0.761 . . . . 0.0 109.291 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -101.67 139.15 37.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.409 -0.807 . . . . 0.0 109.063 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.02 -40.19 88.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.884 -1.135 . . . . 0.0 109.533 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -49.71 -32.53 13.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.489 -0.757 . . . . 0.0 109.026 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.29 -37.41 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 108.777 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.1 -41.34 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.413 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.44 -45.76 92.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.539 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -45.71 93.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.965 -1.084 . . . . 0.0 108.948 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.63 -40.44 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.671 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.2 ttt -63.27 -41.76 99.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 110.04 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 109.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.17 -39.82 82.44 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.25 -47.11 87.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.589 -0.695 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -67.55 104.79 1.66 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.949 . . . . 0.0 110.812 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -60.21 -43.85 95.63 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -91.8 -10.04 41.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.18 -0.95 . . . . 0.0 110.925 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 30.87 74.73 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 40.9 p-10 -70.54 -3.46 18.15 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.183 -1.186 . . . . 0.0 110.386 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.59 -10.18 70.73 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.967 -1.083 . . . . 0.0 111.008 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -140.31 160.65 39.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.934 -1.333 . . . . 0.0 108.199 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -104.77 111.71 24.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.738 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -71.2 -177.16 1.64 Allowed 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.985 0.897 . . . . 0.0 110.646 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.62 -49.87 75.79 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.465 0.65 . . . . 0.0 109.92 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.9 -52.34 66.15 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.813 -177.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -59.94 -43.14 95.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.635 -1.291 . . . . 0.0 108.153 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -50.23 -39.37 44.31 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -68.6 -28.5 66.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 109.223 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.69 -56.0 16.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.122 -0.986 . . . . 0.0 108.675 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -51.38 -40.01 58.33 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.42 -45.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 81' ' ' THR . 79.7 p -63.74 -43.81 95.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.405 ' O ' ' N ' ' B' ' 83' ' ' ALA . 60.3 ttm -49.4 -42.08 41.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 108.954 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.05 -31.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 78' ' ' SER . 30.8 m -78.51 -47.12 17.99 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.4 p -71.33 -14.77 62.31 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.238 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -62.84 -40.47 97.54 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 N--CA 1.487 1.408 0 O-C-N 121.338 -0.851 . . . . 0.0 108.881 179.905 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -38.25 81.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.382 -0.824 . . . . 0.0 110.593 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.33 -33.39 74.21 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.011 -1.056 . . . . 0.0 109.49 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.28 -40.46 93.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.95 -1.094 . . . . 0.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -39.9 87.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.6 94.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.292 -0.88 . . . . 0.0 109.177 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.5 ttm -62.73 -51.22 68.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.238 -0.914 . . . . 0.0 109.901 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.1 -40.7 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.576 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.91 93.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.906 -1.121 . . . . 0.0 109.471 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.01 -45.9 91.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.314 -0.867 . . . . 0.0 110.496 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.98 -47.81 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.751 -1.218 . . . . 0.0 108.872 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.27 -40.03 80.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.432 -0.792 . . . . 0.0 109.07 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.36 -41.27 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 0.0 109.88 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.05 -54.98 39.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.793 -1.192 . . . . 0.0 110.383 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.02 -40.55 89.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 112.497 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.86 -39.99 79.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.298 -1.501 . . . . 0.0 110.495 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.8 -41.33 62.51 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 110.072 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -80.06 -21.02 43.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.005 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.61 15.55 60.07 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -87.37 -54.91 4.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.006 -1.291 . . . . 0.0 109.225 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 65.3 mm-40 -150.21 160.09 43.94 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 -158.36 44.43 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.55 137.98 58.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.489 -1.006 . . . . 0.0 109.616 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.68 -40.01 80.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 111.01 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.71 -21.11 15.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.214 . . . . 0.0 111.645 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -107.41 149.68 27.62 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.1 -1.0 . . . . 0.0 110.625 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 2.5 mm? -97.11 125.14 41.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.544 -0.723 . . . . 0.0 110.321 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -84.53 160.18 20.55 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' SER . 1.3 ptpm? -53.36 -42.17 66.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.647 -1.283 . . . . 0.0 109.845 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 91.2 p -64.04 -38.05 89.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 108.982 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 42.4 mt-10 -68.69 -39.74 80.38 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.886 0.85 . . . . 0.0 108.911 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 32' ' ' LEU . 5.8 tt -67.06 -44.84 79.11 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.33 -40.18 93.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 0.0 109.449 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.591 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 86.8 tt0 -60.09 -43.91 95.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.366 -0.834 . . . . 0.0 109.791 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' HA ' HD22 ' A' ' 38' ' ' ASN . 34.1 tp -59.94 -43.77 94.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.409 -0.807 . . . . 0.0 109.724 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' LEU . 84.2 mt -60.04 -49.08 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.088 -1.007 . . . . 0.0 110.229 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -60.35 -40.34 90.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.857 . . . . 0.0 111.151 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 34' ' ' GLU . 25.1 p30 -91.43 -27.44 18.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.026 -1.046 . . . . 0.0 111.264 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 6.1 tp10 -89.99 -76.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.797 -1.189 . . . . 0.0 110.594 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 40' ' ' LEU . 9.7 mp -81.59 130.26 34.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 110.293 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 8.2 p -129.75 -58.05 1.1 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.553 -0.717 . . . . 0.0 109.464 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.566 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -85.5 -1.96 57.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.936 -1.103 . . . . 0.0 110.438 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -98.38 -1.62 41.12 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.126 -0.984 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -143.35 150.06 38.62 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.272 -0.892 . . . . 0.0 108.815 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.42 -80.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.779 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -171.41 135.89 0.97 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.083 -1.011 . . . . 0.0 109.78 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mm -83.01 108.88 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.385 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -89.61 -74.71 0.47 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.225 -0.922 . . . . 0.0 110.17 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.67 144.24 25.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -68.68 -28.8 67.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.318 -0.864 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.31 -30.09 49.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.186 -0.946 . . . . 0.0 108.731 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.92 -35.2 63.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.16 -41.05 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.568 -0.708 . . . . 0.0 109.173 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 109.224 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.07 -46.67 88.78 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.94 -40.58 89.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.474 -0.766 . . . . 0.0 109.504 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.5 mtp -66.32 -41.93 88.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 110.218 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.154 -0.966 . . . . 0.0 109.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -69.38 -40.01 77.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.423 -0.798 . . . . 0.0 109.353 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.6 -40.81 72.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.687 . . . . 0.0 110.226 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 62.5 t0 -67.32 105.58 1.81 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.296 -0.877 . . . . 0.0 110.277 -178.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.07 -40.06 78.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.457 -0.777 . . . . 0.0 110.146 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 7.4 p-10 -90.1 -10.99 42.63 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.008 -1.057 . . . . 0.0 110.772 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.27 29.54 70.18 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.67 -1.252 . . . . 0.0 110.189 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 p-10 -76.28 -1.7 27.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.041 -1.27 . . . . 0.0 110.012 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.34 3.46 89.86 Favored Glycine 0 N--CA 1.494 2.539 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.843 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -138.62 159.45 42.08 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.145 -1.209 . . . . 0.0 108.136 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -97.97 104.86 16.93 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.866 -1.146 . . . . 0.0 108.759 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.06 169.86 7.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.928 0.87 . . . . 0.0 111.217 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.98 -47.26 86.55 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.528 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 26.4 mp0 -59.1 -55.23 37.67 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.54 -0.864 . . . . 0.0 108.753 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.7 mt-10 -59.99 -44.38 94.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.963 -1.086 . . . . 0.0 108.259 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.35 -38.28 18.84 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.55 -29.34 67.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 108.921 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.93 -55.23 20.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.66 -40.05 62.48 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.72 -45.06 98.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 81' ' ' THR . 87.2 p -66.59 -44.57 81.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.3 -0.875 . . . . 0.0 110.121 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 83' ' ' ALA . 67.9 mtt -50.28 -42.99 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.076 -1.015 . . . . 0.0 108.976 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.15 -30.46 47.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 78' ' ' SER . 34.0 m -83.15 -49.21 9.71 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 m -72.09 -19.96 61.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.859 -0.526 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -80.03 -69.91 0.56 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.977 -1.077 . . . . 0.0 109.56 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.6 m . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.323 -0.861 . . . . 0.0 109.002 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.406 0.622 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.01 -37.85 80.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 110.465 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.52 -33.46 74.16 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.026 -1.047 . . . . 0.0 109.45 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.18 -40.35 94.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.155 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.02 -39.95 87.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.705 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.11 93.78 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.255 -0.903 . . . . 0.0 109.073 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.1 ttm -62.53 -51.2 68.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.13 -0.982 . . . . 0.0 110.04 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.02 -40.54 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.362 -0.836 . . . . 0.0 110.485 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.911 -1.118 . . . . 0.0 109.472 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -45.86 91.37 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.857 . . . . 0.0 110.45 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.03 -47.7 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.673 -1.267 . . . . 0.0 108.938 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.22 -40.1 80.8 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.049 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.58 -41.03 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 0.0 109.846 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.03 -55.09 38.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.685 -1.259 . . . . 0.0 110.317 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.05 -40.51 89.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 112.488 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.71 -40.05 80.16 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.306 -1.496 . . . . 0.0 110.629 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.99 -41.34 62.08 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.109 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -80.05 -21.05 43.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.93 -1.106 . . . . 0.0 111.01 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.54 15.63 59.76 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -87.5 -54.42 4.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.965 -1.315 . . . . 0.0 109.254 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 65.0 mm-40 -150.53 159.94 44.14 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.54 -158.54 45.4 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.96 138.22 58.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -1.054 . . . . 0.0 109.637 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -69.0 -39.93 79.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.348 -0.845 . . . . 0.0 110.871 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -100.76 -20.78 15.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.802 -1.186 . . . . 0.0 111.708 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.73 149.54 28.04 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.03 -1.044 . . . . 0.0 110.647 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 2.8 mm? -96.94 125.43 41.37 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.566 -0.709 . . . . 0.0 110.18 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.09 160.12 20.04 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 30' ' ' SER . 1.3 ptpm? -53.29 -42.38 66.53 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.634 -1.291 . . . . 0.0 109.847 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 96.0 p -63.8 -38.11 89.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.111 -0.993 . . . . 0.0 108.931 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' B' ' 21' ' ' GLU . 43.4 mt-10 -68.74 -39.7 80.19 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.912 0.863 . . . . 0.0 108.963 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.613 HD23 ' O ' ' B' ' 32' ' ' LEU . 5.9 tt -67.2 -44.2 80.18 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.349 0.595 . . . . 0.0 109.405 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.85 -40.25 94.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.312 -0.867 . . . . 0.0 109.408 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.59 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 87.0 tt0 -60.08 -43.76 95.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.455 -0.778 . . . . 0.0 109.796 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.514 ' HA ' HD22 ' B' ' 38' ' ' ASN . 32.4 tp -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.288 -0.883 . . . . 0.0 109.638 -178.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.94 -48.75 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 110.292 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.38 -40.58 91.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.362 -0.836 . . . . 0.0 111.202 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' B' ' 34' ' ' GLU . 24.9 p30 -91.35 -27.5 18.33 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.054 -1.029 . . . . 0.0 111.234 -178.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 6.1 tp10 -90.02 -76.8 0.41 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.836 -1.165 . . . . 0.0 110.572 -178.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 40' ' ' LEU . 9.7 mp -81.68 130.41 35.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.237 -0.915 . . . . 0.0 110.184 -178.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 13.2 p -130.0 -57.76 1.09 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.52 -0.737 . . . . 0.0 109.43 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.563 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 0.0 OUTLIER -85.09 -2.24 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.912 -1.117 . . . . 0.0 110.393 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -98.26 -1.59 41.55 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.007 -1.058 . . . . 0.0 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.45 150.0 38.38 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.254 -0.904 . . . . 0.0 108.886 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.17 -80.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 109.86 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -171.08 136.19 1.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 109.814 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.36 108.78 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.86 -74.97 0.46 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 110.007 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.48 144.13 25.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.029 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.76 -28.53 66.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.267 -0.896 . . . . 0.0 109.189 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.48 -29.97 51.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.08 -1.012 . . . . 0.0 108.822 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.98 -35.05 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.13 -41.16 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.568 -0.708 . . . . 0.0 109.286 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.335 -0.853 . . . . 0.0 109.143 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.0 -46.8 88.28 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.96 -40.34 88.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.535 -0.728 . . . . 0.0 109.553 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mtp -66.46 -42.04 88.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.325 -0.859 . . . . 0.0 110.113 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.75 -46.25 91.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 109.222 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -69.28 -40.01 78.03 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.34 -42.06 72.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.583 -0.698 . . . . 0.0 110.183 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 62.8 t0 -66.79 105.79 1.68 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.155 -0.966 . . . . 0.0 110.357 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.99 -39.95 79.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.286 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 7.6 p-10 -90.11 -10.92 42.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.093 -1.004 . . . . 0.0 110.796 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 70.19 29.32 70.5 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 119.66 -1.257 . . . . 0.0 110.251 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.5 p-10 -76.01 -2.24 29.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.0 -1.294 . . . . 0.0 109.935 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.0 4.75 89.7 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.278 -0.963 . . . . 0.0 110.823 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -139.07 159.29 42.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.135 -1.215 . . . . 0.0 107.929 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.2 t -97.84 104.87 16.93 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.825 -1.172 . . . . 0.0 108.684 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.37 170.32 7.53 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 122.007 0.908 . . . . 0.0 111.206 -178.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.96 -47.17 86.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.523 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 26.5 mp0 -59.12 -55.3 36.81 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.815 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.1 mt-10 -60.0 -44.48 94.53 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -48.56 -37.89 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.9 tpt -68.98 -28.81 66.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.335 -0.853 . . . . 0.0 109.078 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.5 -54.83 22.73 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -52.96 -39.91 63.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.61 -45.1 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.405 ' O ' ' N ' ' B' ' 81' ' ' THR . 84.2 p -66.4 -44.76 82.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.324 -0.86 . . . . 0.0 110.048 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 83' ' ' ALA . 68.4 mtt -50.44 -42.99 54.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.149 -0.969 . . . . 0.0 108.989 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.18 -30.22 47.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' B' ' 78' ' ' SER . 36.3 m -83.15 -49.39 9.53 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -71.98 -20.02 61.79 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.781 -0.574 . . . . 0.0 110.821 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -79.93 -70.09 0.54 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.505 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.301 -1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 109.006 -179.739 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.304 0.573 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.86 -37.63 79.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.41 -0.806 . . . . 0.0 110.412 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.98 -32.43 70.64 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.818 -1.176 . . . . 0.0 109.581 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -61.13 -41.94 97.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.01 -38.94 84.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.568 -0.708 . . . . 0.0 110.051 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.76 95.21 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.97 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 36.7 tpp -61.37 -50.02 74.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.498 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -40.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.505 -0.747 . . . . 0.0 110.265 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.4 92.32 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.873 -1.142 . . . . 0.0 109.173 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.87 -48.22 82.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 110.075 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.94 -52.23 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.881 -1.137 . . . . 0.0 109.914 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.04 -39.9 87.52 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.13 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.01 -41.55 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.589 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.63 -56.71 15.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.971 -1.08 . . . . 0.0 110.343 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -42.94 95.27 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.563 -0.71 . . . . 0.0 112.16 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.04 -41.1 74.67 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.29 -1.506 . . . . 0.0 110.149 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.3 t80 -71.77 -48.69 44.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.52 -0.737 . . . . 0.0 109.656 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.6 p -70.22 -20.15 63.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.478 -0.763 . . . . 0.0 110.225 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.33 19.84 33.46 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -86.23 -51.38 6.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.846 -1.385 . . . . 0.0 108.979 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -140.81 148.17 40.17 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.27 179.76 20.6 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -62.01 -59.88 4.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.939 -1.33 . . . . 0.0 109.484 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -171.86 -64.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.103 -0.998 . . . . 0.0 111.103 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.407 ' ND1' ' C ' ' A' ' 25' ' ' HIS . 3.7 p80 -110.9 17.05 20.9 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.084 -1.01 . . . . 0.0 111.071 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -107.9 129.31 55.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.17 -0.956 . . . . 0.0 109.107 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.0 mt -102.42 127.35 49.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.379 -0.826 . . . . 0.0 109.87 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -95.35 167.1 11.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.471 -0.768 . . . . 0.0 109.091 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -56.72 -41.04 76.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.891 -1.131 . . . . 0.0 110.149 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.2 p -63.94 -35.05 79.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.909 -1.12 . . . . 0.0 108.812 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.97 -31.76 69.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.614 -0.679 . . . . 0.0 109.253 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.85 -40.49 75.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -0.8 . . . . 0.0 109.722 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.59 -40.13 93.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.266 -0.896 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.01 -46.21 90.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 109.932 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.553 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 62.9 tp -60.19 -46.33 90.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.572 -0.705 . . . . 0.0 109.846 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -61.16 -42.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.108 -0.995 . . . . 0.0 109.528 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -69.9 -39.93 75.91 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.889 -1.132 . . . . 0.0 111.015 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -76.1 -58.02 3.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.89 -1.131 . . . . 0.0 112.61 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.51 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.6 mt-10 -84.4 -95.98 0.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.854 -1.153 . . . . 0.0 112.927 -176.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 36' ' ' ILE . 80.5 mt -61.42 129.37 40.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.296 -0.877 . . . . 0.0 110.907 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -147.7 -49.8 0.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.154 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.83 -19.96 62.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.48 -0.763 . . . . 0.0 109.999 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -99.3 1.13 44.28 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.21 -0.931 . . . . 0.0 110.184 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.3 mt -133.01 151.43 52.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.302 -0.874 . . . . 0.0 109.407 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -77.08 144.7 38.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -63.9 139.52 58.78 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.977 -1.077 . . . . 0.0 109.146 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -97.94 121.07 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.526 -0.734 . . . . 0.0 109.569 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -103.26 -28.24 12.0 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.352 -0.843 . . . . 0.0 110.151 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 88.3 tt0 -121.45 134.14 55.08 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.268 -0.895 . . . . 0.0 110.394 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' VAL . 9.7 mp0 -60.6 -39.26 87.46 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 109.866 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 86.2 tt0 -45.93 -32.22 2.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.485 -0.759 . . . . 0.0 109.075 -179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.13 -32.9 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.353 -0.842 . . . . 0.0 108.785 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' GLN . 94.9 t -68.49 -41.04 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.541 -0.725 . . . . 0.0 109.218 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.74 . . . . 0.0 109.718 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.86 -42.17 98.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 108.788 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.9 -41.75 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.733 . . . . 0.0 110.308 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.5 mmm -62.66 -41.82 99.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.201 -0.937 . . . . 0.0 110.124 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.14 -43.96 95.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.192 -0.943 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.11 75.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.47 -0.769 . . . . 0.0 110.565 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 tp -70.6 -43.46 69.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.079 -1.013 . . . . 0.0 111.713 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -67.43 103.98 1.43 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.925 -1.11 . . . . 0.0 110.538 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.64 -40.06 95.92 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.461 -0.774 . . . . 0.0 110.157 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.93 59.42 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.918 -1.134 . . . . 0.0 110.611 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -79.92 -2.99 46.2 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.98 -1.306 . . . . 0.0 111.008 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 5.54 85.27 Favored Glycine 0 N--CA 1.497 2.735 0 O-C-N 120.761 -1.212 . . . . 0.0 111.347 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -139.87 161.05 38.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.923 -1.339 . . . . 0.0 107.981 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.23 108.25 19.2 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -75.54 -178.5 4.14 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.004 0.907 . . . . 0.0 110.81 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.71 -48.9 79.71 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.387 0.613 . . . . 0.0 110.159 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? -60.05 -56.54 20.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 109.988 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 75' ' ' ALA . 99.3 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.657 -1.277 . . . . 0.0 108.301 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -45.96 -40.78 10.8 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 75.9 mtp -70.43 -28.87 65.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' SER . . . -63.21 -59.94 4.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.838 -1.163 . . . . 0.0 109.056 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -49.62 -39.92 37.44 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.15 -40.07 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' ALA . 22.9 t -72.75 -50.18 26.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.455 -0.778 . . . . 0.0 110.86 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.6 ttp -53.98 -40.36 66.82 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.706 -1.246 . . . . 0.0 109.538 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -70.06 -27.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.302 -0.874 . . . . 0.0 108.66 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.447 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 38.8 m -68.84 -44.18 73.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.53 -0.731 . . . . 0.0 109.143 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.6 m -68.41 -54.14 19.1 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.89 -41.5 11.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 109.567 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.932 . . . . 0.0 109.279 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.382 0.61 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -37.49 79.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.415 -0.803 . . . . 0.0 110.45 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -70.05 -32.51 70.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.824 -1.173 . . . . 0.0 109.407 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.93 . . . . 0.0 109.421 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.2 -38.71 84.16 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.643 -0.661 . . . . 0.0 109.836 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.35 94.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 108.91 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.447 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 35.3 tpp -61.81 -49.99 74.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.938 . . . . 0.0 109.49 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.03 -40.04 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 110.139 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.435 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -59.89 -41.53 91.8 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.855 -1.153 . . . . 0.0 109.275 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.96 -48.49 81.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.312 -0.868 . . . . 0.0 110.029 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.1 -51.87 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.85 -1.156 . . . . 0.0 109.87 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.99 -40.06 87.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 109.134 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 9' ' ' ALA . 59.2 t -70.01 -41.52 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.808 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.88 -56.7 14.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.026 -1.046 . . . . 0.0 110.349 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -60.03 -43.01 95.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.402 -0.811 . . . . 0.0 112.185 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -69.94 -40.93 75.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.275 -1.516 . . . . 0.0 110.314 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.549 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 58.4 t80 -72.16 -48.46 43.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.675 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.25 -20.29 63.08 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.763 . . . . 0.0 110.113 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.35 20.13 32.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -85.95 -51.39 6.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.859 -1.377 . . . . 0.0 109.124 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -141.05 148.23 39.89 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.56 179.48 20.51 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.0 -60.04 4.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.979 -1.307 . . . . 0.0 109.427 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -171.5 -64.91 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.025 -1.047 . . . . 0.0 111.202 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.405 ' ND1' ' C ' ' B' ' 25' ' ' HIS . 3.4 p80 -110.77 16.94 21.07 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.085 -1.009 . . . . 0.0 111.128 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -107.88 129.13 55.1 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.198 -0.939 . . . . 0.0 109.269 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -102.4 127.01 49.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.345 -0.847 . . . . 0.0 109.942 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -95.5 166.93 11.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.457 -0.777 . . . . 0.0 109.24 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -56.59 -41.07 76.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.002 -1.061 . . . . 0.0 110.178 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -63.79 -35.36 80.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.893 -1.129 . . . . 0.0 108.83 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.06 -31.52 69.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.86 -40.75 75.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 109.646 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -61.49 -40.28 93.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.238 -0.914 . . . . 0.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.84 -46.32 89.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.254 -0.904 . . . . 0.0 109.981 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.549 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.7 tp -60.47 -45.67 92.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.461 -0.775 . . . . 0.0 110.047 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -61.55 -42.47 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -69.74 -40.05 76.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.016 -1.053 . . . . 0.0 110.938 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -76.26 -57.9 3.6 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.954 -1.092 . . . . 0.0 112.602 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.491 ' OE1' HD11 ' B' ' 35' ' ' LEU . 99.3 mt-10 -84.43 -96.18 0.06 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.805 -1.184 . . . . 0.0 112.751 -176.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' B' ' 36' ' ' ILE . 76.8 mt -61.33 129.28 40.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.233 -0.917 . . . . 0.0 110.958 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -147.43 -49.75 0.18 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 0.0 109.101 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.74 -20.02 62.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.444 -0.785 . . . . 0.0 109.971 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -99.15 0.77 44.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.174 -0.954 . . . . 0.0 110.124 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 78.7 mt -132.35 151.16 51.97 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.353 -0.842 . . . . 0.0 109.476 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -77.01 144.59 38.57 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.86 139.7 58.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 109.173 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 94.0 mt -98.19 121.22 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.433 -0.792 . . . . 0.0 109.57 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -103.55 -28.35 11.8 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.374 -0.829 . . . . 0.0 110.213 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 86.9 tt0 -120.88 134.43 55.29 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.267 -0.895 . . . . 0.0 110.456 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 9.7 mp0 -61.13 -38.76 87.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.443 -0.786 . . . . 0.0 109.855 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.435 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 87.1 tt0 -46.1 -32.19 2.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.549 -0.72 . . . . 0.0 109.182 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.07 -32.89 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 108.854 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 94.8 t -68.29 -41.19 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.222 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.14 -40.15 88.81 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.456 -0.778 . . . . 0.0 109.734 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.8 -42.38 98.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.63 -41.86 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.605 -0.684 . . . . 0.0 110.409 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 90.5 mmm -62.73 -42.02 99.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -0.9 . . . . 0.0 110.126 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.08 -43.95 95.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.304 -0.872 . . . . 0.0 108.657 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -69.99 -40.14 75.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.78 . . . . 0.0 110.722 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.7 tp -70.17 -44.7 68.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.177 -0.952 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -66.36 103.68 1.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 110.729 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.12 -40.36 97.39 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.404 -0.81 . . . . 0.0 108.836 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.101 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.84 32.01 59.51 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.976 -1.107 . . . . 0.0 110.582 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -79.97 -2.93 46.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.968 -1.313 . . . . 0.0 111.02 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.57 5.29 85.91 Favored Glycine 0 N--CA 1.495 2.629 0 O-C-N 120.77 -1.206 . . . . 0.0 111.327 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -140.07 160.89 38.92 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.962 -1.316 . . . . 0.0 107.932 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 84.0 m -108.01 108.33 19.4 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.853 -1.154 . . . . 0.0 109.304 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -75.75 -178.48 4.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.908 0.861 . . . . 0.0 110.851 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.62 -48.86 79.92 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.416 0.627 . . . . 0.0 110.067 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -59.91 -56.66 19.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 110.076 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.72 -1.237 . . . . 0.0 108.281 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -45.83 -40.75 10.24 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.417 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 73.9 mtp -70.38 -29.28 65.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.325 -0.859 . . . . 0.0 109.589 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 78' ' ' SER . . . -63.15 -60.04 3.96 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.913 -1.117 . . . . 0.0 109.019 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -49.51 -40.05 36.39 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.02 -40.05 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.492 ' N ' ' O ' ' B' ' 75' ' ' ALA . 21.1 t -72.5 -50.32 26.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.483 -0.761 . . . . 0.0 110.92 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 50.6 ttp -54.34 -40.22 67.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.669 -1.269 . . . . 0.0 109.551 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.96 -27.83 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.45 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 33.4 m -68.89 -44.02 74.08 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.555 -0.716 . . . . 0.0 109.272 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -68.51 -53.96 19.86 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -41.54 11.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.52 -0.738 . . . . 0.0 109.687 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.336 -179.775 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.525 0.678 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -34.74 77.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.415 -0.803 . . . . 0.0 110.968 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.414 HD23 ' OE2' ' B' ' 39' ' ' GLU . 60.2 tp -70.09 -34.45 73.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.104 . . . . 0.0 109.316 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.71 -41.8 98.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.401 -0.812 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.39 -39.87 88.86 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.098 -1.001 . . . . 0.0 109.369 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.33 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.956 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.9 ttm -59.89 -50.53 73.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.381 -0.824 . . . . 0.0 109.169 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.2 t -57.89 -37.72 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.512 -0.742 . . . . 0.0 109.288 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.74 93.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.711 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.19 -48.36 82.06 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.115 -0.991 . . . . 0.0 110.803 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.36 -50.25 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.669 -1.269 . . . . 0.0 109.319 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -59.94 -42.93 95.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.307 -0.871 . . . . 0.0 109.209 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.71 -39.92 76.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.558 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.93 -57.94 5.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.076 . . . . 0.0 110.456 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -59.93 -40.29 88.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.961 . . . . 0.0 111.436 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -69.6 -39.87 76.99 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.267 -1.521 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.481 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 41.4 t80 -75.78 -46.38 31.02 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.325 -0.859 . . . . 0.0 110.35 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -73.1 -21.47 60.75 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.026 -1.046 . . . . 0.0 110.446 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.58 23.34 13.05 Favored Glycine 0 N--CA 1.496 2.654 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.624 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 mtm105 -83.53 -41.75 17.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.922 -1.34 . . . . 0.0 109.803 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.1 tt0 -176.74 151.79 0.93 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 91.8 64.68 1.14 Allowed Glycine 0 N--CA 1.499 2.9 0 C-N-CA 119.744 -1.217 . . . . 0.0 111.659 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' GLY . 94.4 m-20 54.96 100.16 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.144 -1.209 . . . . 0.0 109.481 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 8.3 mtpm? -53.74 137.66 37.24 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 109.226 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 8.4 t60 76.42 42.53 0.17 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.447 0.641 . . . . 0.0 109.937 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -161.09 123.99 3.21 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 27' ' ' LEU . 4.1 mm? -95.99 115.71 27.84 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.714 -1.241 . . . . 0.0 110.526 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.93 166.56 12.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.621 -0.674 . . . . 0.0 109.303 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.58 -40.0 68.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.23 -0.919 . . . . 0.0 110.376 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -68.14 -33.95 75.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.921 -1.112 . . . . 0.0 110.113 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 73.4 mt-10 -69.95 -30.23 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.62 -39.88 73.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.455 0.645 . . . . 0.0 109.909 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -63.97 -42.81 97.14 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.37 -45.4 72.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.159 -0.963 . . . . 0.0 109.574 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 41.7 tp -60.31 -49.98 75.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 109.385 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.43 -49.95 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.609 -0.682 . . . . 0.0 110.105 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.19 -40.8 97.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.534 -0.729 . . . . 0.0 110.539 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -85.3 -31.49 23.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.228 -0.92 . . . . 0.0 110.707 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' LEU . 38.6 tp10 -84.7 -76.45 0.31 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.303 -0.873 . . . . 0.0 111.198 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.59 129.85 39.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.004 -1.06 . . . . 0.0 109.596 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -117.54 -72.51 0.68 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.451 -0.78 . . . . 0.0 109.161 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.621 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 13.8 p80 -91.54 6.31 46.13 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.009 -1.057 . . . . 0.0 109.091 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.621 ' CZ ' ' CE1' ' A' ' 42' ' ' HIS . 66.2 m-85 -98.79 -3.12 36.32 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.435 HD13 ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -137.84 137.26 37.96 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.408 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.435 ' H ' HD13 ' A' ' 44' ' ' LEU . 85.7 tt0 -60.98 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.941 -1.099 . . . . 0.0 109.325 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -160.31 119.94 2.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.855 -1.153 . . . . 0.0 109.113 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.6 mt -97.64 118.79 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.227 -0.921 . . . . 0.0 109.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.21 -23.55 12.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.681 -0.637 . . . . 0.0 109.574 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -108.67 136.55 48.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.353 -0.842 . . . . 0.0 110.507 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.16 -31.05 69.44 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 109.526 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -57.17 -30.55 64.6 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.513 -0.742 . . . . 0.0 109.085 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.3 t -68.6 -34.01 62.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.5 t -69.74 -41.76 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.15 89.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.58 -50.07 75.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 108.804 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.8 -40.97 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.694 -0.629 . . . . 0.0 109.426 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.445 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 1.4 tpt -59.97 -43.17 95.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -60.49 -40.18 90.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.112 -0.993 . . . . 0.0 108.608 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -66.1 -39.97 90.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.488 -0.757 . . . . 0.0 109.422 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.2 -40.29 74.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.252 -0.905 . . . . 0.0 109.667 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 56.1 t0 -70.15 89.43 0.64 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 110.717 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.96 -25.1 63.47 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.218 -0.926 . . . . 0.0 108.876 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.49 -10.54 34.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.408 -0.807 . . . . 0.0 110.984 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.51 18.51 71.86 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 88.7 m-20 -68.11 -9.71 48.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.453 -1.028 . . . . 0.0 110.107 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 86.21 -17.69 36.47 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -129.8 164.97 22.93 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.322 -1.105 . . . . 0.0 109.145 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.445 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 82.4 m -103.52 109.33 20.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.147 -0.971 . . . . 0.0 109.583 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.2 t70 -69.8 177.14 3.2 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.998 0.904 . . . . 0.0 111.122 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.532 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.7 t80 -60.25 -48.55 81.28 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.7 -54.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 75' ' ' ALA . 41.1 mt-10 -60.02 -46.71 88.61 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.116 -0.99 . . . . 0.0 108.353 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -45.23 -38.82 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.7 tpp -67.68 -27.8 67.15 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.343 -0.848 . . . . 0.0 109.059 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -59.97 -57.5 12.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.223 -0.923 . . . . 0.0 108.623 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -55.54 -39.6 70.78 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.18 -44.91 96.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.7 p -66.72 -42.84 85.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.02 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.51 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -56.22 -42.53 77.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.193 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.52 -31.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.125 -0.984 . . . . 0.0 108.663 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.6 m -80.56 -48.62 12.46 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.794 0.807 . . . . 0.0 108.956 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -72.3 -17.57 61.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.679 -0.638 . . . . 0.0 110.264 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -76.06 -41.78 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.004 -1.06 . . . . 0.0 109.725 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 92.4 m . . . . . 0 N--CA 1.496 1.869 0 O-C-N 121.259 -0.901 . . . . 0.0 110.591 -178.753 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.391 0.615 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.67 -33.77 76.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.517 -0.739 . . . . 0.0 110.639 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.5 tp -70.11 -34.2 72.81 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.059 -1.025 . . . . 0.0 109.232 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.72 -42.24 98.68 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.898 . . . . 0.0 109.464 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.97 -40.13 88.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.241 -0.912 . . . . 0.0 109.19 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.59 73.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.9 ttm -60.59 -50.91 71.65 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.885 0.85 . . . . 0.0 109.424 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.69 -37.9 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.62 -0.675 . . . . 0.0 109.299 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.05 93.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.079 -1.013 . . . . 0.0 109.931 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.56 -48.4 81.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.266 -0.896 . . . . 0.0 110.414 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.1 mt -60.13 -50.28 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.854 -1.154 . . . . 0.0 109.743 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.07 -43.02 95.74 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.165 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.41 -39.94 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.479 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -66.96 -58.08 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.964 -1.085 . . . . 0.0 110.558 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -60.09 -39.99 88.07 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.199 -0.938 . . . . 0.0 111.585 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.62 -39.61 77.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.267 -1.52 . . . . 0.0 109.693 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 42.3 t80 -75.83 -46.89 28.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.203 -0.936 . . . . 0.0 110.39 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.3 t -72.76 -21.33 61.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.56 23.22 13.28 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 121.016 -1.053 . . . . 0.0 110.587 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtm105 -83.0 -41.89 18.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.957 -1.319 . . . . 0.0 109.947 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.1 tt0 -176.91 151.68 0.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.638 -0.664 . . . . 0.0 109.735 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 91.73 66.04 1.14 Allowed Glycine 0 N--CA 1.499 2.871 0 O-C-N 120.947 -1.096 . . . . 0.0 111.511 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 22' ' ' GLY . 94.4 m-20 54.09 101.56 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.173 . . . . 0.0 109.533 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 9.0 mtpm? -54.43 137.69 41.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.331 -0.855 . . . . 0.0 109.28 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 8.6 t60 76.01 43.95 0.15 Allowed 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.463 0.649 . . . . 0.0 109.659 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.409 ' C ' HD22 ' B' ' 27' ' ' LEU . 34.8 tptt -162.1 124.16 2.82 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.516 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.9 mm? -96.45 114.73 26.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.194 . . . . 0.0 110.546 -178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.17 166.26 12.42 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -54.13 -40.03 67.02 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.205 -0.934 . . . . 0.0 110.473 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -68.2 -33.88 75.24 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.987 -1.07 . . . . 0.0 110.258 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 72.4 mt-10 -69.84 -30.36 67.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 108.769 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.12 -39.89 71.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.696 -0.627 . . . . 0.0 109.926 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -63.75 -41.67 97.96 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.356 -0.84 . . . . 0.0 109.586 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -45.1 69.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.207 -0.933 . . . . 0.0 109.493 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.502 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 45.9 tp -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.362 -0.837 . . . . 0.0 109.524 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -61.4 -50.16 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.487 -0.758 . . . . 0.0 110.343 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.04 -40.34 95.41 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.761 . . . . 0.0 110.621 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -84.68 -33.13 23.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.275 -0.891 . . . . 0.0 110.489 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 35' ' ' LEU . 36.8 tp10 -83.89 -77.04 0.27 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.427 -0.796 . . . . 0.0 111.421 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -70.89 128.93 37.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 109.747 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 78.5 p -116.32 -72.97 0.66 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.454 -0.779 . . . . 0.0 109.151 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.613 ' NE2' ' CE2' ' B' ' 43' ' ' PHE . 12.6 p80 -91.08 6.72 43.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 109.332 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.613 ' CE2' ' NE2' ' B' ' 42' ' ' HIS . 66.3 m-85 -99.2 -2.63 36.25 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.87 137.44 38.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.07 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -160.01 119.84 2.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.008 -1.057 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.4 mt -97.87 118.09 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.116 -0.99 . . . . 0.0 109.447 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.69 -23.06 12.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.475 -0.766 . . . . 0.0 109.47 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.94 136.7 48.04 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.329 -0.857 . . . . 0.0 110.559 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.02 -31.59 70.5 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.612 0.72 . . . . 0.0 109.448 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -56.21 -30.9 62.94 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.571 -0.706 . . . . 0.0 109.195 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -68.92 -33.81 61.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.89 -41.74 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.53 -40.44 91.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 0.0 109.706 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.43 -49.93 75.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.194 -0.941 . . . . 0.0 108.597 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.62 -41.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.609 -0.682 . . . . 0.0 109.725 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.425 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 1.7 tpt -60.08 -42.51 94.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.318 -0.864 . . . . 0.0 110.187 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.5 -40.29 94.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.076 -1.015 . . . . 0.0 108.655 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -65.51 -39.8 92.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.51 -0.744 . . . . 0.0 109.476 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' B' ' 76' ' ' PHE . 6.8 mp -70.35 -41.38 73.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.469 -0.769 . . . . 0.0 109.614 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 55.6 t0 -69.26 89.75 0.48 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.093 -1.004 . . . . 0.0 110.72 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.0 -24.6 63.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 108.911 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.03 -10.06 34.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.33 -0.856 . . . . 0.0 110.929 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.87 17.49 71.49 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.513 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 87.6 m-20 -68.13 -9.2 44.76 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.332 -1.099 . . . . 0.0 110.083 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.465 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.99 -16.12 39.49 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -130.24 164.97 23.38 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.305 -1.115 . . . . 0.0 108.993 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 93.1 m -103.57 108.9 20.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.16 -0.962 . . . . 0.0 109.497 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.0 t70 -69.79 177.59 3.0 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.887 0.851 . . . . 0.0 111.112 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 63.0 t80 -60.25 -49.01 79.31 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.66 0.743 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -59.57 -54.0 51.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.438 -0.789 . . . . 0.0 109.252 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' B' ' 75' ' ' ALA . 41.0 mt-10 -60.02 -46.68 88.7 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.052 -1.03 . . . . 0.0 108.384 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -45.03 -38.05 4.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 52.6 tpp -68.36 -27.93 66.69 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.381 -0.824 . . . . 0.0 109.166 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.04 -56.9 15.99 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.413 ' CD1' HD21 ' B' ' 60' ' ' LEU . 90.1 t80 -56.21 -39.49 72.55 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.34 -44.41 95.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.2 p -67.11 -43.12 83.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 110.055 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.508 ' O ' ' N ' ' B' ' 83' ' ' ALA . 28.0 ttt -56.47 -41.68 76.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.461 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.0 -31.35 49.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.15 -0.969 . . . . 0.0 108.456 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.5 m -80.65 -49.62 11.0 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.721 0.772 . . . . 0.0 108.99 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -71.65 -17.34 62.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.809 -0.557 . . . . 0.0 110.199 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.94 -42.57 48.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.2 m . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.447 -0.783 . . . . 0.0 110.941 -178.716 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.95 -35.11 74.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.231 -0.918 . . . . 0.0 110.003 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.0 -32.78 71.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.116 . . . . 0.0 110.718 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -62.61 -45.64 91.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.799 -1.188 . . . . 0.0 109.622 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -61.43 -38.05 85.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.312 -0.868 . . . . 0.0 110.685 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.17 -48.48 81.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.513 -178.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.4 -43.14 86.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.015 -1.053 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.014 -1.054 . . . . 0.0 110.118 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.19 -44.47 96.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.079 -1.013 . . . . 0.0 109.681 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.09 -51.31 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.798 -1.189 . . . . 0.0 109.772 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.99 -43.84 94.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.128 -0.982 . . . . 0.0 109.196 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -39.92 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -0.795 . . . . 0.0 109.869 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -64.14 -59.94 3.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -61.31 -40.88 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.98 -1.075 . . . . 0.0 112.043 -177.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -70.1 -41.33 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.185 -1.572 . . . . 0.0 109.468 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.7 t80 -73.07 -44.01 61.15 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.588 0.708 . . . . 0.0 109.232 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -73.11 -23.13 60.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.698 -0.626 . . . . 0.0 110.349 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.37 23.4 15.63 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -83.48 -44.19 14.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.973 -1.31 . . . . 0.0 108.746 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -148.83 156.0 41.72 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.331 -0.856 . . . . 0.0 109.712 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.89 -171.7 55.15 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -80.32 150.27 29.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -1.049 . . . . 0.0 109.608 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 68.1 mttm -74.1 136.29 42.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 0.0 109.987 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 27.1 t-80 93.73 -15.29 0.12 Allowed 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 123.135 0.574 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.52 116.31 31.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.235 -0.916 . . . . 0.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -94.78 120.07 34.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.11 -0.994 . . . . 0.0 109.443 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -91.04 163.22 14.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.566 -0.708 . . . . 0.0 109.312 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.0 -44.89 83.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.076 -1.015 . . . . 0.0 110.268 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 t -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.853 -1.155 . . . . 0.0 108.705 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.14 -36.08 79.12 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -69.99 -41.21 74.71 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.906 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.9 -40.0 96.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.253 -0.904 . . . . 0.0 109.536 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.95 -43.54 94.96 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.839 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.525 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 64.0 tp -59.93 -41.69 92.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 0.0 109.765 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.66 -40.1 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.0 109.698 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -80.03 -19.84 46.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.544 -0.723 . . . . 0.0 110.754 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -57.89 -56.95 15.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 111.616 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.99 -6.16 0.68 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.649 -1.282 . . . . 0.0 110.278 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -90.74 123.02 33.99 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.93 -1.106 . . . . 0.0 109.171 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -159.64 -28.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.249 -0.907 . . . . 0.0 110.087 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -68.92 -24.43 64.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.136 -0.977 . . . . 0.0 109.493 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -99.38 -17.37 18.03 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.393 -0.817 . . . . 0.0 109.85 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.0 mt -140.22 110.82 6.76 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' GLU . 86.0 tt0 -109.83 -29.04 8.48 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.409 -0.807 . . . . 0.0 109.442 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' GLU . 78.4 mm-40 -61.03 -129.68 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.351 -0.843 . . . . 0.0 109.717 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.2 mt 49.02 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.072 -1.018 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -103.77 -16.39 15.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.268 -0.895 . . . . 0.0 109.159 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 84.0 tt0 -123.12 144.93 49.0 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -59.97 -35.42 74.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.042 -1.036 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 86.7 tt0 -54.34 -30.27 50.94 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.032 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.31 -33.71 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.0 108.722 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.48 -42.42 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.37 -0.831 . . . . 0.0 108.854 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 48.0 t0 -60.05 -42.67 94.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.015 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.72 -42.63 97.64 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.15 -0.969 . . . . 0.0 108.659 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.24 -39.93 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.489 -0.757 . . . . 0.0 109.103 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 96.0 mmm -65.25 -40.7 94.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.752 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -61.0 -48.02 83.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.178 -0.951 . . . . 0.0 109.53 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -68.86 -40.19 79.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.2 tp -72.12 -40.08 68.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.487 -0.758 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' MET . 45.3 t0 -80.73 54.63 2.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 110.746 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.26 -38.91 84.97 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 2.9 p-10 -59.65 -34.77 73.25 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.957 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 87.79 87.88 1.13 Allowed Glycine 0 N--CA 1.488 2.118 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 82.2 m-20 -147.17 -30.08 0.35 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.558 -0.966 . . . . 0.0 110.855 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.42 -13.78 61.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -137.35 160.5 38.9 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 t -100.78 107.14 18.64 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.762 -1.212 . . . . 0.0 109.437 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 173.01 4.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 111.111 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.07 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.535 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 4.0 mp0 -58.38 -52.82 64.01 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.757 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 75' ' ' ALA . 82.1 mt-10 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 63.2 t80 -47.25 -39.2 13.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -69.72 -25.78 64.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.306 -0.871 . . . . 0.0 108.816 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -66.3 -56.4 11.34 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.04 -39.18 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 73' ' ' PHE . 54.8 t -60.06 -45.48 95.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -65.9 -42.13 90.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.487 -0.758 . . . . 0.0 109.602 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 83' ' ' ALA . 64.9 mmm -55.72 -41.24 73.58 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.742 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.6 m -84.45 -49.95 8.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.625 0.726 . . . . 0.0 109.437 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -70.89 -19.15 62.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.668 -0.645 . . . . 0.0 110.091 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -75.53 -40.64 56.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.12 -0.987 . . . . 0.0 109.474 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.835 . . . . 0.0 109.953 -179.275 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.89 -35.03 74.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 0.0 109.864 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.02 -32.78 71.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.852 -1.155 . . . . 0.0 110.689 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -62.62 -45.87 90.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.812 -1.18 . . . . 0.0 109.564 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.97 -38.11 84.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.266 -0.896 . . . . 0.0 110.82 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.92 -48.87 79.95 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.572 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.21 -43.14 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.065 -1.022 . . . . 0.0 110.175 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.08 -40.03 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.95 87.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.031 -1.043 . . . . 0.0 110.222 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.19 -44.36 96.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.92 -51.45 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.751 -1.218 . . . . 0.0 109.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.98 -43.67 94.97 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.195 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.16 -39.93 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 0.0 109.873 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -64.48 -59.91 3.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.349 -0.845 . . . . 0.0 110.775 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -61.19 -40.95 95.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 112.035 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -70.27 -40.89 74.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.197 -1.564 . . . . 0.0 109.544 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 61.2 t80 -73.22 -43.97 60.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.633 0.73 . . . . 0.0 109.275 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.6 t -73.18 -23.17 60.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.69 -0.632 . . . . 0.0 110.328 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.23 23.38 15.18 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -83.37 -44.17 15.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.954 -1.321 . . . . 0.0 108.824 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -148.86 156.01 41.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.334 -0.853 . . . . 0.0 109.595 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.86 -171.85 55.18 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.27 150.53 29.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -1.05 . . . . 0.0 109.591 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 68.4 mttm -74.4 136.8 42.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 0.0 109.882 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.534 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 24.9 t-80 93.7 -15.35 0.12 Allowed 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 123.111 0.564 . . . . 0.0 110.581 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.71 116.28 31.42 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.924 . . . . 0.0 109.775 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.8 mm? -94.67 120.18 34.48 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.157 -0.965 . . . . 0.0 109.381 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -90.98 163.43 14.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.622 -0.674 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.01 -44.9 83.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.091 -1.005 . . . . 0.0 110.362 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.2 t -60.64 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.902 -1.124 . . . . 0.0 108.825 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.02 -36.28 79.67 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.94 -41.2 74.88 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.891 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.77 -40.0 95.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.672 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -43.49 95.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.432 -0.792 . . . . 0.0 109.741 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.53 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.5 tp -59.99 -41.91 93.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.628 -179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.35 -40.23 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.21 -0.931 . . . . 0.0 109.747 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.94 -19.89 46.94 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.464 -0.772 . . . . 0.0 110.72 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.07 -56.89 16.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.116 -0.99 . . . . 0.0 111.515 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -144.76 -6.33 0.69 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.74 -1.225 . . . . 0.0 110.461 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.6 tp -90.81 123.18 34.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.955 -1.09 . . . . 0.0 109.21 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -159.48 -29.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.291 -0.881 . . . . 0.0 110.204 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -68.73 -24.34 64.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.068 -1.02 . . . . 0.0 109.501 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -99.5 -17.4 17.92 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.809 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.26 110.82 6.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.234 -0.916 . . . . 0.0 109.066 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 46' ' ' GLU . 85.8 tt0 -109.85 -29.09 8.45 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.328 -0.858 . . . . 0.0 109.477 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 45' ' ' GLU . 78.1 mm-40 -60.97 -129.4 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.345 -0.847 . . . . 0.0 109.686 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mt 48.95 63.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -103.84 -16.22 15.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.208 -0.932 . . . . 0.0 109.144 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 83.7 tt0 -123.14 144.75 49.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.95 -35.11 74.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.963 -1.086 . . . . 0.0 109.176 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 86.7 tt0 -54.74 -30.26 55.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.305 -0.872 . . . . 0.0 108.91 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.44 -33.56 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 108.667 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.75 -42.07 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.386 -0.821 . . . . 0.0 108.856 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 48.8 t0 -60.08 -42.87 95.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.48 -0.763 . . . . 0.0 109.971 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.61 -42.81 97.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.14 -0.975 . . . . 0.0 108.526 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -40.0 83.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.532 -0.73 . . . . 0.0 109.071 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.3 mmm -65.23 -40.94 94.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.426 -0.796 . . . . 0.0 109.739 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -60.81 -47.89 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.15 -0.969 . . . . 0.0 109.552 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.09 -40.33 78.46 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.77 -40.74 69.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.567 -0.708 . . . . 0.0 109.844 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -80.35 54.86 2.1 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.22 -38.59 83.84 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 2.9 p-10 -59.8 -34.77 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.928 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 87.79 87.78 1.13 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 82.7 m-20 -146.89 -30.41 0.35 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.455 -1.027 . . . . 0.0 110.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.86 -13.99 61.46 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -137.19 160.98 37.44 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.19 107.23 18.57 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.873 -1.142 . . . . 0.0 109.372 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.79 173.15 4.58 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.367 -0.833 . . . . 0.0 111.146 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.06 -49.95 75.63 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.445 0.64 . . . . 0.0 109.374 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' B' ' 71' ' ' GLN . 4.0 mp0 -58.4 -52.76 64.26 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.356 -0.937 . . . . 0.0 108.778 -179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 75' ' ' ALA . 84.5 mt-10 -60.07 -46.58 89.09 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -47.17 -39.39 13.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -69.81 -25.58 63.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 108.898 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -66.73 -55.74 13.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.44 -39.14 67.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.0 -45.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -65.98 -42.14 90.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.591 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 83' ' ' ALA . 66.1 mmm -55.87 -41.05 73.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 108.746 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.12 -30.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -84.38 -49.95 8.24 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.622 0.725 . . . . 0.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -71.11 -19.25 62.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.16 -41.07 58.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.449 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 88.7 m . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 110.016 -179.185 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.71 -30.41 70.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.861 -1.15 . . . . 0.0 109.518 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 3' ' ' LEU . 7.9 mp -70.7 -32.18 69.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.181 -0.95 . . . . 0.0 109.509 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 8' ' ' VAL . 85.5 tt0 -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.078 -1.014 . . . . 0.0 108.683 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.58 -40.19 84.84 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 109.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.34 82.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 109.786 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.519 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 23.6 tpp -64.81 -52.52 56.37 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.12 0.962 . . . . 0.0 108.582 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 4' ' ' GLU . 74.7 t -59.74 -40.0 81.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.649 -0.657 . . . . 0.0 109.815 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.35 93.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.032 -1.042 . . . . 0.0 109.498 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.57 -49.42 77.61 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.205 -0.934 . . . . 0.0 111.502 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.86 -49.3 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.77 -40.99 85.56 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.47 -41.35 78.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 110.031 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.07 -58.49 5.93 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.924 -1.11 . . . . 0.0 111.092 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.5 -40.53 87.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 111.02 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -68.32 -39.84 81.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.347 -1.471 . . . . 0.0 108.02 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.495 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 64.6 t80 -73.21 -41.04 64.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.566 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -69.48 -18.69 63.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.36 22.99 20.8 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -80.29 -47.16 14.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.757 -1.437 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -150.86 147.25 27.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 -169.8 50.91 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -73.45 147.95 43.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.499 -1.0 . . . . 0.0 109.261 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 96.7 mttt -70.1 140.02 52.63 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.595 -0.691 . . . . 0.0 110.045 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.0 t60 78.33 39.13 0.15 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.713 . . . . 0.0 109.359 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.87 109.51 3.43 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -97.22 116.36 29.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.639 -1.288 . . . . 0.0 109.787 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -87.17 160.95 18.32 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -57.54 -41.09 80.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.907 -1.121 . . . . 0.0 109.387 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -64.19 -39.66 94.44 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 108.688 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -69.73 -37.22 76.43 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.426 1.108 . . . . 0.0 108.687 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.82 -41.51 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.56 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 50.9 tp10 -64.21 -44.35 92.19 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.046 -1.034 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.0 tt -59.9 -48.77 80.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.407 -0.808 . . . . 0.0 110.522 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.0 mt -60.58 -46.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.247 -0.908 . . . . 0.0 109.266 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.17 -43.45 98.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.034 -1.041 . . . . 0.0 110.895 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 90.6 m-20 -81.26 -46.83 14.2 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.809 -1.182 . . . . 0.0 111.757 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -88.03 -74.96 0.43 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.784 -1.198 . . . . 0.0 111.279 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 36' ' ' ILE . 61.6 tp -85.32 93.5 8.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.781 -1.2 . . . . 0.0 110.319 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -145.46 -33.5 0.35 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.294 -0.879 . . . . 0.0 109.012 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -68.81 -19.01 64.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.601 -0.687 . . . . 0.0 110.932 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.6 -15.36 13.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.119 -0.988 . . . . 0.0 109.823 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.7 tp -140.0 140.83 36.34 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.281 -0.887 . . . . 0.0 108.629 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -125.08 -109.41 0.32 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.577 -0.702 . . . . 0.0 110.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 47.29 -142.35 0.43 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.327 -0.858 . . . . 0.0 109.885 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 47' ' ' ILE . 87.7 mt 49.87 70.0 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.16 -0.963 . . . . 0.0 110.397 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -107.44 -12.32 15.33 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.152 -0.968 . . . . 0.0 109.661 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 88.3 tt0 -136.1 150.69 49.22 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.228 -0.92 . . . . 0.0 109.595 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.97 . . . . 0.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 76.9 mm-40 -57.05 -32.64 66.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.848 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.4 -35.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.738 -1.226 . . . . 0.0 107.73 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.88 -40.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.04 -40.87 90.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.421 -0.799 . . . . 0.0 109.863 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -67.03 -50.99 60.31 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 118.884 -1.127 . . . . 0.0 108.725 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -63.31 -43.34 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.657 -0.652 . . . . 0.0 110.429 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.61 -49.45 76.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.181 -0.949 . . . . 0.0 109.608 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -40.69 92.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.052 -1.03 . . . . 0.0 109.129 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.2 m -66.99 -40.07 87.29 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.63 HD23 ' C ' ' A' ' 60' ' ' LEU . 7.4 tt -59.71 -46.78 88.05 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.718 . . . . 0.0 109.149 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' A' ' 57' ' ' MET . 99.3 m-20 -62.52 100.01 0.17 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 110.533 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.46 -39.91 89.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.481 -0.762 . . . . 0.0 109.573 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -95.7 -1.64 49.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.487 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 23.85 74.71 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 119.148 -1.501 . . . . 0.0 110.279 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 34.4 p-10 -66.32 -8.24 23.93 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.059 -1.26 . . . . 0.0 109.61 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -22.18 11.7 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -121.31 175.88 5.92 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.355 -1.085 . . . . 0.0 108.407 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.9 t -113.39 103.47 11.33 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-O 121.93 0.871 . . . . 0.0 109.065 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.25 169.03 12.93 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.136 0.969 . . . . 0.0 110.863 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.567 0.699 . . . . 0.0 109.192 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -59.94 -56.87 16.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 108.947 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.6 mt-10 -59.9 -40.99 90.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.004 . . . . 0.0 108.545 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -48.76 -40.84 30.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -65.53 -34.12 77.51 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.189 -0.944 . . . . 0.0 108.994 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.78 -55.03 34.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.8 -39.23 71.02 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.71 -45.34 97.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 81' ' ' THR . 70.9 m -66.6 -43.52 84.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.346 -0.846 . . . . 0.0 109.192 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 83' ' ' ALA . 55.6 ttm -50.81 -40.53 55.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.07 . . . . 0.0 108.885 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.64 -26.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 78' ' ' SER . 4.6 m -82.59 -50.92 8.26 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.439 0.637 . . . . 0.0 109.364 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.422 ' CG2' HE22 ' B' ' 71' ' ' GLN . 30.6 p -72.46 -19.55 61.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.458 -0.777 . . . . 0.0 110.266 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -74.79 -47.48 30.6 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.905 -1.122 . . . . 0.0 109.444 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.4 m -78.86 130.15 35.35 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.697 -0.627 . . . . 0.0 109.349 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -80.62 162.42 24.24 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.73 114.59 7.22 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.041 -1.037 . . . . 0.0 109.281 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 63.0 t80 -100.84 -0.47 36.89 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -87.35 9.7 19.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.508 -0.745 . . . . 0.0 109.893 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -88.42 -7.67 56.24 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.148 -0.97 . . . . 0.0 109.168 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -100.78 142.93 31.55 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.334 -0.854 . . . . 0.0 109.496 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--N 1.301 -1.511 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.271 179.621 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.89 -30.65 70.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.663 -1.273 . . . . 0.0 109.59 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.649 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.1 mp -70.44 -32.23 69.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.146 -0.971 . . . . 0.0 109.463 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -41.48 92.36 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.403 -0.919 . . . . 0.0 108.677 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -67.34 -39.95 85.82 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.015 -1.053 . . . . 0.0 109.401 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.09 78.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.27 -0.894 . . . . 0.0 109.286 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.462 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 25.7 tpp -63.33 -53.2 56.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.047 0.927 . . . . 0.0 108.711 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.01 -40.35 82.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.741 -0.599 . . . . 0.0 109.779 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.28 92.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.056 -1.028 . . . . 0.0 109.579 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.81 -49.36 77.79 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 111.623 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -60.26 -48.93 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 109.457 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.2 -40.24 85.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.605 -0.684 . . . . 0.0 109.233 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.61 -42.29 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 110.078 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.05 -57.87 7.54 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.893 -1.13 . . . . 0.0 111.511 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -59.95 -40.08 87.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.851 -1.156 . . . . 0.0 110.681 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -68.33 -39.44 81.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.427 -1.42 . . . . 0.0 108.409 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.492 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 59.8 t80 -74.15 -40.79 62.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.489 -0.757 . . . . 0.0 110.428 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 43.5 m -69.7 -17.58 63.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.732 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.88 21.83 28.39 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -79.83 -46.95 15.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.727 -1.455 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -150.95 146.92 26.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.308 -0.87 . . . . 0.0 109.827 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -170.01 50.0 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -73.29 148.35 43.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -1.06 . . . . 0.0 109.238 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 97.0 mttt -70.56 140.04 51.65 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.0 t60 78.47 39.83 0.13 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.533 -0.729 . . . . 0.0 109.131 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -153.37 109.76 3.36 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.55 115.59 28.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.828 -1.17 . . . . 0.0 109.929 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -86.68 160.47 18.85 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -57.2 -42.51 81.41 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.772 -1.205 . . . . 0.0 109.196 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -62.26 -39.99 94.74 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.111 -0.993 . . . . 0.0 108.591 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 122.294 1.045 . . . . 0.0 109.059 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 tp -63.1 -41.58 99.4 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.2 -42.32 98.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.6 tp10 -63.19 -44.83 94.29 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.345 -0.847 . . . . 0.0 109.817 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.492 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.7 tt -59.93 -48.83 80.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 110.168 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -60.1 -46.43 94.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.313 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -62.11 -42.24 99.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.816 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 88.5 m-20 -82.4 -46.22 13.81 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.828 -1.17 . . . . 0.0 111.647 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -88.58 -75.37 0.43 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.883 -1.136 . . . . 0.0 111.33 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 36' ' ' ILE . 63.2 tp -84.58 92.73 8.2 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.999 -1.063 . . . . 0.0 110.04 -178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.5 p -144.8 -33.88 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.231 -0.918 . . . . 0.0 109.336 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -68.42 -19.7 64.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.629 -0.67 . . . . 0.0 110.972 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -111.5 -15.9 13.42 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.155 -0.965 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 tp -139.88 141.03 36.61 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.189 -0.945 . . . . 0.0 108.584 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -125.28 -109.94 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.568 -0.708 . . . . 0.0 110.071 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 48.14 -141.98 0.52 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.308 -0.87 . . . . 0.0 109.732 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.413 ' O ' HG22 ' B' ' 47' ' ' ILE . 86.5 mt 50.21 69.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 0.0 110.264 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -107.71 -12.63 15.19 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.283 -0.886 . . . . 0.0 109.687 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.458 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 87.0 tt0 -135.89 150.63 49.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 0.0 109.368 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -60.28 -39.62 87.52 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.433 -0.792 . . . . 0.0 109.957 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 76.5 mm-40 -57.11 -32.1 65.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.172 -0.955 . . . . 0.0 109.897 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.88 -36.36 75.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.55 -41.65 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.22 -40.08 88.93 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.503 -0.748 . . . . 0.0 110.175 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.99 -51.57 53.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.89 -1.131 . . . . 0.0 108.658 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.73 -42.93 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.486 -0.759 . . . . 0.0 110.732 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.13 -49.41 75.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.98 -1.075 . . . . 0.0 109.826 -178.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.34 -40.91 92.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.814 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -66.29 -39.98 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.617 ' C ' HD23 ' B' ' 60' ' ' LEU . 8.0 tt -59.97 -47.11 87.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.612 -0.68 . . . . 0.0 109.295 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' B' ' 57' ' ' MET . 98.1 m-20 -62.26 100.03 0.16 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.757 0.789 . . . . 0.0 110.354 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.47 -39.66 88.44 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -96.04 -2.23 47.23 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.435 -0.79 . . . . 0.0 111.366 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.75 23.29 75.65 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.082 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 33.1 p-10 -65.4 -8.85 20.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.096 -1.238 . . . . 0.0 109.524 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.09 -25.43 7.76 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -119.59 172.64 7.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.187 -1.184 . . . . 0.0 108.426 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -108.41 104.92 14.38 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.176 -0.952 . . . . 0.0 109.342 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -70.09 169.53 13.29 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 122.05 0.928 . . . . 0.0 111.142 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.71 -43.57 97.65 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.691 0.758 . . . . 0.0 109.181 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.422 HE22 ' CG2' ' A' ' 82' ' ' THR . 87.0 mm-40 -60.22 -57.04 14.5 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.18 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.5 mt-10 -59.89 -40.62 89.36 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.42 ' O ' HG23 ' B' ' 77' ' ' VAL . 80.9 t80 -48.17 -40.19 23.17 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.68 -35.15 79.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.345 -0.847 . . . . 0.0 108.862 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.34 -55.14 37.19 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.08 -40.16 73.18 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 73' ' ' PHE . 54.7 t -59.81 -45.1 95.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.532 ' O ' ' N ' ' B' ' 81' ' ' THR . 67.9 m -67.25 -43.95 80.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.334 -0.854 . . . . 0.0 108.937 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.432 ' O ' ' N ' ' B' ' 83' ' ' ALA . 55.5 ttm -50.32 -41.42 51.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.005 -1.06 . . . . 0.0 108.879 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.88 -26.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.532 ' N ' ' O ' ' B' ' 78' ' ' SER . 4.4 m -82.99 -51.56 7.46 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.5 p -71.81 -19.96 61.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.611 -0.68 . . . . 0.0 110.391 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -74.37 -47.68 32.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.927 -1.108 . . . . 0.0 109.36 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 81.6 m -79.0 129.39 34.39 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.466 0.65 . . . . 0.0 109.476 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -80.11 161.34 25.37 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.51 114.65 7.1 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.167 -0.958 . . . . 0.0 109.527 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' B' ' 87' ' ' PHE . 63.9 t80 -101.23 -0.61 35.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.845 . . . . 0.0 108.904 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -86.64 9.29 19.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.452 -0.78 . . . . 0.0 109.937 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -88.4 -7.16 57.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.275 -0.89 . . . . 0.0 109.085 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -100.84 143.15 31.34 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.402 -0.811 . . . . 0.0 109.224 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.297 -1.69 0 CA-C-O 117.84 -1.076 . . . . 0.0 109.351 179.433 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.29 -31.3 72.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.217 -0.927 . . . . 0.0 110.002 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.96 -30.45 67.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.083 -1.01 . . . . 0.0 109.263 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.78 -39.98 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.329 -0.857 . . . . 0.0 109.898 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -64.41 -40.05 95.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.993 . . . . 0.0 109.834 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.93 83.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.414 -0.804 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -60.15 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.222 -0.924 . . . . 0.0 108.942 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.83 -40.08 81.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -42.86 92.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.678 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.91 -50.06 75.23 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.059 -1.025 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.96 -49.93 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 110.219 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.9 -40.13 87.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.272 -0.892 . . . . 0.0 109.43 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -40.74 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.915 . . . . 0.0 109.652 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.76 -55.97 21.76 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.982 -1.074 . . . . 0.0 111.274 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.97 -42.14 93.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.884 -1.135 . . . . 0.0 111.12 -176.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.485 ' O ' ' NH1' ' A' ' 20' ' ' ARG . 94.9 mt-30 -70.45 -40.19 73.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.109 -1.619 . . . . 0.0 109.639 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.64 -46.64 65.73 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.768 0.794 . . . . 0.0 109.12 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.0 t -70.93 -14.85 62.52 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.96 14.35 62.16 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.485 ' NH1' ' O ' ' A' ' 16' ' ' GLN . 80.6 mmt-85 -72.73 -40.16 66.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.412 . . . . 0.0 109.039 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.45 1.94 33.1 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.89 3.06 90.58 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -90.08 84.68 6.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.333 -1.098 . . . . 0.0 110.034 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -75.86 161.74 28.73 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.431 ' NE2' ' OE2' ' B' ' 86' ' ' GLU . 89.9 m-70 45.26 33.58 1.23 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.615 -1.303 . . . . 0.0 110.828 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -169.68 97.39 0.31 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.0 mp -96.68 128.86 44.03 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.82 157.51 19.56 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.505 -0.747 . . . . 0.0 110.246 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 35.8 ttpt -55.2 -46.36 75.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.661 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -60.13 -37.51 80.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.892 -1.13 . . . . 0.0 108.41 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.1 -46.42 90.68 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.93 -41.09 95.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.366 -0.834 . . . . 0.0 109.678 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.95 -44.55 94.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 0.0 109.336 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.0 -46.85 88.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.608 -0.683 . . . . 0.0 110.282 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.15 -49.71 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.037 -1.039 . . . . 0.0 111.155 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.956 -1.09 . . . . 0.0 110.069 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -76.33 -47.44 23.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.847 . . . . 0.0 110.957 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -84.01 -71.62 0.5 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.197 -0.939 . . . . 0.0 112.65 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -91.77 121.05 33.05 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.765 -1.209 . . . . 0.0 111.619 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.3 m -135.47 -48.54 0.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.84 -20.01 53.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.53 -0.731 . . . . 0.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.67 -17.63 17.68 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.323 -0.86 . . . . 0.0 109.91 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.96 135.39 10.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -171.34 -133.69 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 53.77 29.96 10.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -95.61 115.5 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.182 -0.949 . . . . 0.0 108.503 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -89.96 -79.53 0.34 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.225 -0.922 . . . . 0.0 110.576 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.28 166.62 10.47 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.825 0.821 . . . . 0.0 110.717 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' VAL . 35.2 tt0 -60.01 -37.82 80.84 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.479 0.657 . . . . 0.0 109.275 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 47.9 mp0 -48.03 -30.79 4.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.195 -0.941 . . . . 0.0 109.082 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.62 -36.02 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.063 -1.023 . . . . 0.0 108.493 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.1 t -66.99 -39.97 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.517 ' OD1' ' NZ ' ' A' ' 29' ' ' LYS . 90.2 m-20 -59.92 -39.61 86.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 0.0 109.136 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.96 -48.41 81.81 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.383 -0.823 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.98 -41.48 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.94 -41.37 95.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.311 -0.868 . . . . 0.0 111.078 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.24 -40.93 91.99 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.057 -1.027 . . . . 0.0 109.896 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.23 -38.62 78.61 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.36 -0.837 . . . . 0.0 109.841 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.02 -39.94 75.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.468 -0.77 . . . . 0.0 110.358 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.85 101.76 0.87 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.068 -1.02 . . . . 0.0 110.261 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.62 -39.97 92.08 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.582 -0.699 . . . . 0.0 109.61 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -89.87 -11.17 42.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.189 -0.944 . . . . 0.0 110.623 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.08 29.05 73.22 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -77.67 -0.58 27.24 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.247 -1.149 . . . . 0.0 110.287 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.7 -2.95 71.15 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.63 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -131.51 163.87 27.05 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.374 . . . . 0.0 108.284 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -104.56 103.59 13.29 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.903 -1.123 . . . . 0.0 109.833 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.0 t0 -71.44 176.59 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 110.955 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 58.1 t80 -60.07 -49.95 75.63 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.493 0.663 . . . . 0.0 109.572 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.5 -52.6 64.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.627 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.95 -44.13 94.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -47.96 -43.22 29.21 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 tpt -69.68 -39.67 76.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -14.79 4.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.121 -0.987 . . . . 0.0 111.119 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -92.23 -26.41 18.19 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.87 -41.82 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.351 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' THR . 46.7 t -71.48 -49.46 41.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.944 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 ttm -49.92 -41.32 45.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.088 -1.007 . . . . 0.0 109.55 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.64 -25.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -78.67 -49.75 12.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.8 p -71.07 -15.13 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.694 -0.629 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.23 62.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 0.0 110.1 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 81' ' ' THR . 27.6 p -69.39 160.02 32.11 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.172 -0.955 . . . . 0.0 110.171 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -70.76 160.07 33.36 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.572 0.701 . . . . 0.0 109.824 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.466 ' OE2' ' NE2' ' B' ' 25' ' ' HIS . 97.2 mt-10 -60.04 -39.98 87.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.605 -0.684 . . . . 0.0 109.713 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -68.22 139.54 56.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.277 -0.89 . . . . 0.0 109.717 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -77.44 146.98 36.19 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.31 -0.868 . . . . 0.0 109.992 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -105.66 101.89 11.38 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.582 -0.699 . . . . 0.0 109.36 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 91' ' ' GLU . 86.5 t60 -71.0 -40.26 71.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.891 -1.13 . . . . 0.0 109.546 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' HIS . 86.5 tt0 . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.819 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.6 -31.04 72.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.774 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.99 -30.45 67.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 109.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.84 -40.14 94.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.313 -0.867 . . . . 0.0 109.763 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -64.4 -40.04 95.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.974 -1.079 . . . . 0.0 109.847 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -48.07 83.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.202 -0.936 . . . . 0.0 109.44 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.95 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.01 . . . . 0.0 109.024 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.93 -39.94 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.62 93.68 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.819 -1.175 . . . . 0.0 109.567 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.06 -49.85 76.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.927 -1.108 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.09 -49.9 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.007 -1.058 . . . . 0.0 110.223 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.05 -39.99 87.89 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.434 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.67 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.256 -0.902 . . . . 0.0 109.757 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.81 -55.84 22.77 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.095 -1.003 . . . . 0.0 111.24 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -59.95 -42.63 94.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.961 -1.087 . . . . 0.0 111.081 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.47 ' O ' ' NH1' ' B' ' 20' ' ' ARG . 94.7 mt-30 -70.06 -39.97 75.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.191 -1.568 . . . . 0.0 109.909 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -69.89 -46.63 65.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.776 0.798 . . . . 0.0 109.097 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -70.87 -14.98 62.59 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.01 14.55 61.7 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' B' ' 16' ' ' GLN . 80.2 mmt-85 -72.78 -40.06 66.25 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.734 -1.451 . . . . 0.0 109.11 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.6 2.21 33.05 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.691 -0.63 . . . . 0.0 109.327 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 3.34 90.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -90.38 84.74 6.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -1.119 . . . . 0.0 110.039 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -75.82 161.5 28.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.466 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 89.9 m-70 45.15 33.78 1.21 Allowed 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.62 -1.3 . . . . 0.0 110.822 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -169.8 97.52 0.3 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.39 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.418 ' N ' HD12 ' B' ' 27' ' ' LEU . 11.0 mp -96.88 128.64 44.04 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -86.5 157.54 19.76 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.485 -0.759 . . . . 0.0 110.317 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.525 ' NZ ' ' OD1' ' B' ' 54' ' ' ASP . 35.3 ttpt -55.42 -46.27 76.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -0.906 . . . . 0.0 109.708 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.8 p -60.02 -37.68 80.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.959 -1.088 . . . . 0.0 108.346 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.92 -39.93 75.87 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -61.23 -46.08 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.1 -41.06 95.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.41 -0.806 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.09 -44.6 94.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -0.823 . . . . 0.0 109.212 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.98 -46.91 87.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.51 -0.744 . . . . 0.0 110.294 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -60.03 -49.65 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.984 -1.072 . . . . 0.0 111.141 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.12 -39.91 87.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 110.136 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.52 -47.25 23.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 111.016 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.99 -71.31 0.51 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.317 -0.864 . . . . 0.0 112.731 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.8 mt -92.13 121.2 33.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.849 -1.157 . . . . 0.0 111.508 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 52.2 m -135.79 -48.33 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.85 -19.99 53.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.591 -0.693 . . . . 0.0 109.472 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.73 -17.71 17.6 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.238 -0.914 . . . . 0.0 109.808 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.94 135.47 10.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.31 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -171.25 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 53.61 29.73 9.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.106 -0.996 . . . . 0.0 109.695 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -95.34 115.46 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.105 -0.997 . . . . 0.0 108.497 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -89.97 -79.47 0.34 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.657 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -102.19 167.16 10.18 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.777 0.798 . . . . 0.0 110.83 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' B' ' 53' ' ' VAL . 35.7 tt0 -59.93 -38.32 82.04 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.533 0.682 . . . . 0.0 109.275 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 48.2 mp0 -47.78 -30.9 4.32 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.155 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.65 -35.79 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.054 -1.029 . . . . 0.0 108.605 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.3 t -67.19 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.525 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 90.5 m-20 -59.93 -39.36 85.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.41 -0.806 . . . . 0.0 109.088 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.97 -49.04 79.22 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.44 -41.59 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.257 -0.902 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 ttt -64.7 -41.62 95.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.309 -0.87 . . . . 0.0 111.059 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.05 -41.44 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.115 -0.991 . . . . 0.0 109.852 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.98 -38.48 79.37 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.365 -0.834 . . . . 0.0 109.791 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.03 -40.98 74.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.415 -0.803 . . . . 0.0 110.093 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -66.1 102.64 0.84 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.783 -1.198 . . . . 0.0 110.377 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.97 -40.02 90.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.58 -0.7 . . . . 0.0 109.545 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -89.67 -11.0 43.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.704 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.99 73.33 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.7 -0.57 27.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.271 -1.135 . . . . 0.0 110.333 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 -3.04 70.92 Favored Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.973 -1.108 . . . . 0.0 111.69 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -131.37 163.64 27.43 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.969 -1.312 . . . . 0.0 108.309 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.21 103.54 13.32 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.994 -1.066 . . . . 0.0 109.911 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.2 t0 -71.38 176.48 4.6 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.314 -0.866 . . . . 0.0 111.072 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 57.9 t80 -59.95 -50.04 75.32 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.575 0.702 . . . . 0.0 109.615 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.31 -52.68 64.6 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.615 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.99 -44.53 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.91 -1.119 . . . . 0.0 108.013 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -47.38 -43.29 23.26 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -69.75 -39.65 76.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -14.76 4.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 111.208 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -92.32 -26.7 17.99 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.7 -41.68 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.354 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.455 ' O ' ' N ' ' B' ' 81' ' ' THR . 48.2 t -71.72 -49.47 39.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.105 -0.997 . . . . 0.0 109.937 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttm -49.82 -41.29 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.036 . . . . 0.0 109.539 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.51 -25.91 36.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.455 ' N ' ' O ' ' B' ' 78' ' ' SER . 23.2 m -78.89 -49.61 12.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.5 p -71.08 -15.06 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.74 -0.6 . . . . 0.0 109.698 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 27.5 p -69.46 160.06 32.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 110.209 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -70.86 160.22 33.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.532 -0.73 . . . . 0.0 109.92 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.431 ' OE2' ' NE2' ' A' ' 25' ' ' HIS . 96.9 mt-10 -60.02 -40.2 88.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.54 -0.725 . . . . 0.0 109.62 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -67.98 139.53 56.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.0 109.693 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -77.49 147.2 35.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 0.0 109.954 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -105.78 101.94 11.41 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.452 -0.78 . . . . 0.0 109.287 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' B' ' 91' ' ' GLU . 86.5 t60 -70.95 -40.3 72.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.866 -1.146 . . . . 0.0 109.404 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' B' ' 90' ' ' HIS . 86.7 tt0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.833 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.41 -30.59 71.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.146 -0.971 . . . . 0.0 109.947 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.57 -33.1 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.297 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.91 -40.27 92.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.98 -40.39 96.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.018 -1.051 . . . . 0.0 109.719 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.81 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.058 -1.026 . . . . 0.0 109.289 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.9 ttm -61.57 -50.81 71.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.71 -40.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.951 -1.093 . . . . 0.0 109.242 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.24 -49.76 76.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.052 -1.03 . . . . 0.0 110.71 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -49.97 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.04 -39.73 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.866 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 9' ' ' ALA . 53.4 t -70.29 -42.0 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.918 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.06 -55.82 25.15 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.645 -1.284 . . . . 0.0 111.085 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.46 -39.94 85.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.029 . . . . 0.0 111.601 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -68.66 -36.62 78.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.457 -1.402 . . . . 0.0 109.824 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 14.4 m-85 -83.95 -42.89 15.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.369 -0.832 . . . . 0.0 110.916 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.2 t -70.06 -21.78 63.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.639 -1.288 . . . . 0.0 110.052 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.9 21.35 11.66 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -87.11 -53.66 4.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -1.156 . . . . 0.0 109.256 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -147.41 160.52 42.46 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.237 -0.914 . . . . 0.0 109.288 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.59 -158.18 39.0 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.745 ' H ' ' NZ ' ' A' ' 28' ' ' LYS . 19.2 t0 -78.12 166.15 23.12 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.036 -1.273 . . . . 0.0 108.468 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.77 -39.96 90.75 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.362 -0.836 . . . . 0.0 111.387 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -111.77 1.07 16.45 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.699 -1.25 . . . . 0.0 112.995 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 127.22 53.19 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 120.442 -1.411 . . . . 0.0 109.325 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.71 131.45 45.68 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.424 -0.797 . . . . 0.0 109.161 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.745 ' NZ ' ' H ' ' A' ' 23' ' ' ASP . 14.1 mptt -93.95 166.62 12.07 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 50' ' ' GLN . 38.5 tttm -58.89 -49.33 78.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.38 -0.825 . . . . 0.0 110.282 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 m -60.32 -40.13 89.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.726 -1.234 . . . . 0.0 109.71 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.23 -45.01 96.33 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.49 -40.34 90.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 110.206 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.53 -46.45 88.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.105 -0.997 . . . . 0.0 110.55 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.75 -50.08 75.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.911 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 94.1 mt -60.75 -50.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.222 -0.924 . . . . 0.0 109.516 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -61.67 -40.08 93.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 110.681 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -76.59 -56.03 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.179 -0.951 . . . . 0.0 111.214 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 17' ' ' TYR . 95.5 mt-10 -87.18 -75.27 0.41 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.993 -1.067 . . . . 0.0 112.115 -177.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 60.3 tp -82.14 96.12 7.71 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.801 -1.187 . . . . 0.0 110.82 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 36' ' ' ILE . 14.6 m -147.29 -33.56 0.27 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -61.82 -13.2 21.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.589 -0.694 . . . . 0.0 110.435 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.481 ' C ' HD12 ' A' ' 44' ' ' LEU . 91.9 m-85 -111.07 -13.08 14.11 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.046 -1.034 . . . . 0.0 109.562 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.481 HD12 ' C ' ' A' ' 43' ' ' PHE . 11.2 mp -110.08 -89.84 0.48 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.525 -0.734 . . . . 0.0 109.364 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 62.35 8.7 2.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.555 -0.715 . . . . 0.0 109.151 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.87 -14.36 27.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.5 mt -85.58 117.73 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.984 -1.072 . . . . 0.0 109.582 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -126.57 -27.26 3.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.574 -0.704 . . . . 0.0 109.835 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 58.0 mp0 -110.95 149.1 31.14 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.333 -0.854 . . . . 0.0 110.593 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' NE2' ' NZ ' ' A' ' 29' ' ' LYS . 25.2 mm100 -60.56 -39.75 89.14 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.529 0.681 . . . . 0.0 109.486 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -54.51 -33.39 59.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.55 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.08 -35.09 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.047 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.3 t -70.42 -39.98 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 109.177 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.62 -44.59 93.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.47 -0.768 . . . . 0.0 110.276 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.8 -49.28 75.56 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.039 -1.038 . . . . 0.0 108.728 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.59 -41.58 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.64 -0.663 . . . . 0.0 110.402 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttt -60.23 -47.95 83.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.019 -1.05 . . . . 0.0 110.881 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -46.65 88.7 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.002 -1.061 . . . . 0.0 109.681 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.7 m -60.57 -39.14 86.92 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.463 -0.773 . . . . 0.0 110.305 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.74 -40.19 76.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.359 -0.838 . . . . 0.0 110.844 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -66.89 101.29 0.81 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.001 -1.062 . . . . 0.0 109.909 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.1 -40.63 90.31 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.365 -0.835 . . . . 0.0 109.513 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -96.62 -4.6 40.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.312 -0.868 . . . . 0.0 111.345 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.25 72.26 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 120.594 -1.317 . . . . 0.0 110.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -71.45 -5.67 34.61 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.958 -1.319 . . . . 0.0 111.215 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -19.42 44.96 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.883 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 54.6 mp0 -129.69 170.02 14.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.067 -1.255 . . . . 0.0 109.092 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.84 104.96 14.79 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.297 -0.877 . . . . 0.0 109.894 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -69.85 175.35 4.39 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.807 0.813 . . . . 0.0 110.93 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.46 -49.6 76.92 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.462 0.648 . . . . 0.0 109.435 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.515 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 28.3 mp0 -56.75 -54.19 49.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.065 -1.022 . . . . 0.0 108.78 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -42.84 94.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.078 -1.014 . . . . 0.0 108.857 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -48.55 -40.56 27.53 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -67.52 -30.92 70.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 109.186 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.91 -53.24 58.48 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 80' ' ' VAL . 64.7 t80 -53.7 -40.02 65.66 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.92 -43.19 98.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.4 t -69.71 -47.5 62.94 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.491 -0.755 . . . . 0.0 110.187 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -52.28 -44.83 65.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.944 -1.097 . . . . 0.0 109.449 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 76' ' ' PHE . 67.7 t -62.07 -29.57 46.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.1 m -82.03 -49.39 10.28 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.753 0.787 . . . . 0.0 109.159 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 m -72.07 -18.48 61.93 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.299 0.571 . . . . 0.0 109.798 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -69.83 -39.79 76.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.314 -0.866 . . . . 0.0 109.666 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 47.0 t -87.75 130.95 34.66 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.259 -0.901 . . . . 0.0 109.694 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -68.48 153.45 43.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.294 -0.879 . . . . 0.0 108.82 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.75 129.92 43.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.02 -1.05 . . . . 0.0 109.793 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -170.72 95.38 0.21 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.251 -0.906 . . . . 0.0 109.431 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' GLU . 66.2 t80 -89.72 -76.93 0.4 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.206 -0.934 . . . . 0.0 109.58 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' PHE . 24.4 tt0 40.72 -130.06 0.4 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.558 -0.714 . . . . 0.0 109.814 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -158.72 170.56 21.88 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.074 -1.016 . . . . 0.0 109.391 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.373 -179.467 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.66 -31.12 71.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.967 -1.083 . . . . 0.0 109.844 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.01 -32.95 72.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.954 -1.091 . . . . 0.0 109.419 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.56 -40.05 90.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.464 -0.772 . . . . 0.0 109.413 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.5 -40.18 95.17 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.043 -1.036 . . . . 0.0 109.815 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.77 76.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 0.0 109.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.2 ttm -61.85 -50.71 71.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 108.956 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.97 -40.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.424 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.992 -1.068 . . . . 0.0 109.233 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.95 -49.59 77.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.972 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.1 -50.02 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.028 -1.045 . . . . 0.0 109.078 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.496 -0.882 . . . . 0.0 108.742 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 9' ' ' ALA . 54.0 t -70.06 -42.28 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.759 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.75 -55.9 25.25 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.673 -1.267 . . . . 0.0 111.142 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -59.45 -39.96 85.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 111.556 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.9 -36.47 78.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.578 -1.326 . . . . 0.0 109.807 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.439 ' CE2' ' OE2' ' B' ' 39' ' ' GLU . 14.1 m-85 -84.05 -42.8 15.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.285 -0.885 . . . . 0.0 110.953 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -70.37 -21.37 62.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.362 -1.461 . . . . 0.0 110.023 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.87 21.27 11.76 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -87.44 -52.86 5.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.025 -1.279 . . . . 0.0 109.392 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -148.05 160.06 43.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.313 -0.867 . . . . 0.0 109.047 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.29 -158.52 38.03 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 108.949 -1.661 . . . . 0.0 108.949 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.728 ' H ' ' NZ ' ' B' ' 28' ' ' LYS . 19.9 t0 -78.26 166.75 22.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.978 -1.307 . . . . 0.0 108.218 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.1 -39.67 90.83 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.266 -0.896 . . . . 0.0 111.531 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -112.08 1.03 16.13 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.834 -1.166 . . . . 0.0 112.966 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 126.76 52.69 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.574 -1.329 . . . . 0.0 109.635 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 87.6 mt -99.32 131.26 45.46 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.728 ' NZ ' ' H ' ' B' ' 23' ' ' ASP . 13.9 mptt -93.69 166.67 12.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.617 -0.677 . . . . 0.0 109.474 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' NZ ' ' NE2' ' B' ' 50' ' ' GLN . 38.9 tttm -58.81 -49.5 77.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 110.24 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.1 -40.06 88.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.8 -1.188 . . . . 0.0 109.805 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -70.03 -38.32 75.86 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.983 0.897 . . . . 0.0 108.752 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.67 -45.29 94.69 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -60.5 -40.08 90.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.449 -0.782 . . . . 0.0 110.281 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.18 -46.05 88.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.369 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.07 -50.09 75.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.169 -0.957 . . . . 0.0 109.803 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -60.46 -50.05 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.604 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -61.75 -39.94 93.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.146 -0.971 . . . . 0.0 110.797 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -76.66 -56.25 4.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.179 -0.951 . . . . 0.0 111.272 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.439 ' OE2' ' CE2' ' B' ' 17' ' ' TYR . 95.9 mt-10 -86.81 -75.0 0.41 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.879 -1.138 . . . . 0.0 112.135 -177.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' B' ' 36' ' ' ILE . 56.3 tp -82.6 96.71 8.17 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.004 -1.06 . . . . 0.0 110.741 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 36' ' ' ILE . 12.1 m -147.96 -33.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -61.77 -13.15 21.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.488 -0.757 . . . . 0.0 110.58 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.491 ' C ' HD12 ' B' ' 44' ' ' LEU . 92.8 m-85 -111.42 -13.03 13.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.132 -0.98 . . . . 0.0 109.503 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.491 HD12 ' C ' ' B' ' 43' ' ' PHE . 11.2 mp -110.01 -89.99 0.48 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.461 -0.774 . . . . 0.0 109.201 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 62.31 8.59 2.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.447 -0.783 . . . . 0.0 109.035 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -93.06 -14.26 27.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -85.15 116.84 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.937 -1.102 . . . . 0.0 109.789 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -125.74 -27.71 3.33 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.646 -0.659 . . . . 0.0 110.144 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.6 mp0 -111.27 149.18 31.41 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.361 -0.837 . . . . 0.0 110.744 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.407 ' NE2' ' NZ ' ' B' ' 29' ' ' LYS . 24.5 mm100 -60.26 -39.77 87.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.702 -0.624 . . . . 0.0 109.745 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -54.91 -32.85 61.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.87 . . . . 0.0 110.344 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.35 -34.64 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.009 -1.057 . . . . 0.0 109.081 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.95 -39.6 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.729 . . . . 0.0 109.183 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.85 -44.56 94.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.293 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -63.21 -49.09 75.58 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 108.598 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.49 -42.02 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.648 -0.657 . . . . 0.0 110.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.9 ttt -60.18 -47.72 84.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.843 -1.161 . . . . 0.0 111.056 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -46.88 87.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.124 -0.985 . . . . 0.0 109.651 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -60.83 -38.54 85.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.549 -0.719 . . . . 0.0 110.353 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.9 -40.42 75.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.882 . . . . 0.0 110.639 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.26 101.93 0.99 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.811 -1.18 . . . . 0.0 109.686 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.06 -40.25 88.83 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.514 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -97.2 -4.71 38.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 111.364 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.31 29.96 71.69 Favored Glycine 0 N--CA 1.493 2.479 0 O-C-N 120.551 -1.343 . . . . 0.0 110.034 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -71.2 -5.87 35.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.964 -1.315 . . . . 0.0 110.967 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.39 -17.0 54.68 Favored Glycine 0 N--CA 1.494 2.526 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.951 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 53.8 mp0 -130.54 169.55 15.42 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.091 -1.241 . . . . 0.0 108.935 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.81 104.78 14.57 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.367 -0.833 . . . . 0.0 109.857 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.12 175.35 4.59 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.889 0.852 . . . . 0.0 111.087 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.1 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.532 0.682 . . . . 0.0 109.741 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.517 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 28.3 mp0 -56.81 -54.26 48.45 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.094 -1.004 . . . . 0.0 108.694 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.56 94.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.999 -1.063 . . . . 0.0 108.823 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.73 -40.67 29.37 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.3 tpt -67.28 -31.55 71.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.146 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.25 59.17 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 80' ' ' VAL . 67.6 t80 -53.53 -40.03 65.15 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.35 -43.13 98.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 30.3 t -69.29 -47.64 63.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.411 -0.806 . . . . 0.0 110.267 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.9 ttt -52.72 -44.39 66.32 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.109 -0.995 . . . . 0.0 109.32 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 76' ' ' PHE . 87.6 t -62.36 -29.58 47.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 52.4 m -82.1 -49.7 9.89 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.68 0.752 . . . . 0.0 109.007 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -71.87 -18.21 62.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.714 -0.616 . . . . 0.0 109.792 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -70.01 -40.0 75.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.426 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.87 131.25 34.16 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.226 -0.921 . . . . 0.0 109.784 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -68.96 153.06 44.46 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.173 -0.954 . . . . 0.0 108.712 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.16 129.41 41.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.113 -0.992 . . . . 0.0 110.052 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -170.37 95.51 0.24 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.315 -0.866 . . . . 0.0 109.608 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 89' ' ' GLU . 65.8 t80 -89.75 -76.81 0.41 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.189 -0.945 . . . . 0.0 109.956 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 88' ' ' PHE . 24.5 tt0 40.3 -130.05 0.36 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.45 -0.781 . . . . 0.0 109.918 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -158.61 170.87 21.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.082 -1.011 . . . . 0.0 109.375 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.37 -179.511 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.23 -36.51 73.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 109.77 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -70.62 -34.76 72.46 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 109.776 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.64 -44.95 94.99 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -60.76 -39.72 89.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.62 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.88 88.13 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 108.835 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.77 -51.18 68.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.463 -0.773 . . . . 0.0 109.759 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.12 -39.57 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.382 -0.824 . . . . 0.0 109.627 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.88 -41.86 92.5 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.131 -0.981 . . . . 0.0 109.007 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.19 -47.11 87.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.902 . . . . 0.0 110.04 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.8 -51.32 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.748 -1.22 . . . . 0.0 110.15 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -58.51 -39.73 80.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 9' ' ' ALA . 55.2 t -68.6 -39.95 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.393 -0.817 . . . . 0.0 109.247 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -60.94 -57.48 12.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.31 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.97 -43.61 94.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.159 -0.963 . . . . 0.0 112.076 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.66 -40.99 98.22 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.225 -1.547 . . . . 0.0 110.22 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.496 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.6 t80 -69.35 -41.56 76.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 109.382 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -69.9 -17.2 63.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.83 19.42 20.97 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -64.21 -40.1 95.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.763 -1.434 . . . . 0.0 108.126 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 23' ' ' ASP . 86.5 tt0 -119.63 153.29 35.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.9 -19.16 0.06 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLU . 95.3 m-20 -90.96 87.19 6.52 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.85 -1.382 . . . . 0.0 109.709 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -88.08 149.91 23.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.402 -0.812 . . . . 0.0 109.54 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 17.0 t60 75.69 33.94 0.61 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.724 0.774 . . . . 0.0 109.179 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' C ' HD22 ' A' ' 27' ' ' LEU . 32.6 tttm -152.54 111.64 3.84 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -98.35 114.52 26.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 29' ' ' LYS . 57.3 tttm -94.81 165.96 12.22 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 28' ' ' LYS . 23.8 pttm -59.75 -40.0 86.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.877 -1.139 . . . . 0.0 109.819 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.7 p -64.42 -39.19 93.37 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.69 -31.92 71.36 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.3 tp -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.466 0.651 . . . . 0.0 109.421 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -62.55 -40.53 97.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.354 -0.841 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.84 -42.01 86.47 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.921 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 52.2 tp -60.14 -48.41 81.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.358 -0.839 . . . . 0.0 109.677 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.73 -46.9 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.038 -1.039 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -61.12 -43.16 99.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.228 -0.92 . . . . 0.0 110.989 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -87.19 -26.14 23.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.992 -1.067 . . . . 0.0 111.276 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -87.96 -75.11 0.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.779 -1.201 . . . . 0.0 110.404 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.9 mt -99.37 121.09 40.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.15 -0.969 . . . . 0.0 110.513 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -124.94 -56.17 1.57 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -72.38 -20.44 61.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.412 -0.805 . . . . 0.0 109.616 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -101.1 0.13 37.27 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.481 -0.762 . . . . 0.0 109.759 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.497 HD13 ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -139.28 139.93 37.49 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.086 -1.009 . . . . 0.0 109.643 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.497 ' H ' HD13 ' A' ' 44' ' ' LEU . 20.4 pt-20 -75.9 148.36 38.31 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.95 137.65 41.77 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.346 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.9 mt -111.06 120.13 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.459 -0.775 . . . . 0.0 109.219 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -97.08 -21.65 17.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.333 -0.854 . . . . 0.0 110.021 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 53.1 mp0 -100.35 129.82 46.38 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.014 -1.054 . . . . 0.0 110.161 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -69.53 -31.52 69.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.549 -0.72 . . . . 0.0 110.034 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.53 -29.65 68.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.168 -0.958 . . . . 0.0 109.169 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.9 t -70.01 -36.34 68.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.84 -40.69 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.73 -40.29 91.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.755 . . . . 0.0 109.495 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.53 -42.03 95.63 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.5 -40.56 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 94.5 mmm -65.19 -41.47 94.53 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.725 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.46 -46.63 89.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 108.824 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -66.19 -39.8 89.96 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.633 0.73 . . . . 0.0 109.242 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.08 -40.3 65.14 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -79.11 48.69 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.871 -1.143 . . . . 0.0 110.816 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -38.13 81.77 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 19.9 p-10 -59.98 -32.7 71.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.684 -0.635 . . . . 0.0 109.815 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 96.05 83.64 1.66 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 67' ' ' GLU . 97.9 m-20 -142.32 -29.23 0.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.627 -0.925 . . . . 0.0 110.486 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.4 -9.91 13.03 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 107.891 -2.083 . . . . 0.0 107.891 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' A' ' 65' ' ' ASP . 99.0 mt-10 -134.05 161.19 35.51 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.5 t -109.14 109.06 19.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.77 -1.206 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -76.82 -177.82 4.54 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.389 1.09 . . . . 0.0 111.357 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.53 -41.27 94.11 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.705 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.91 -57.46 12.76 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -60.53 -39.95 89.73 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.018 . . . . 0.0 109.338 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 77' ' ' VAL . 64.5 t80 -47.28 -40.52 16.94 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -69.93 -31.9 69.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.477 -0.764 . . . . 0.0 109.288 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.49 -59.83 4.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.091 -1.005 . . . . 0.0 109.369 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -54.15 -40.12 67.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 73' ' ' PHE . 54.7 t -60.24 -45.27 96.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.3 p -67.04 -43.91 81.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.262 -0.898 . . . . 0.0 109.937 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.7 ttt -53.68 -41.31 66.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.084 -1.01 . . . . 0.0 108.66 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.52 -30.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -80.06 -45.23 18.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.0 m -70.21 -16.15 63.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.641 -0.662 . . . . 0.0 109.958 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.3 69.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.039 -1.038 . . . . 0.0 108.987 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.7 t -89.85 69.9 7.57 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -60.41 -41.25 93.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.09 -1.006 . . . . 0.0 109.48 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -81.61 136.62 35.54 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.528 -0.733 . . . . 0.0 109.075 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -69.81 148.28 49.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.965 -1.084 . . . . 0.0 108.6 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 51.6 p90 -60.95 126.08 26.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.781 -1.199 . . . . 0.0 109.429 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -112.98 -2.2 14.32 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -130.5 140.85 50.5 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.311 -0.868 . . . . 0.0 109.426 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.997 179.688 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.73 -36.68 72.38 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.086 -1.009 . . . . 0.0 109.711 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.542 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -71.27 -34.07 70.35 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.09 -1.006 . . . . 0.0 109.779 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.21 -45.06 93.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.903 -1.123 . . . . 0.0 110.186 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.53 -40.08 90.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.947 . . . . 0.0 109.595 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.95 91.28 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.365 -0.834 . . . . 0.0 108.99 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.2 mtp -64.03 -50.68 67.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 0.0 109.479 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.94 -40.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 109.321 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.66 91.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.226 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.13 -46.89 88.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.154 -0.967 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.85 -51.23 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 120.801 -1.187 . . . . 0.0 109.794 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -58.31 -40.12 81.2 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.412 HG11 HD23 ' A' ' 3' ' ' LEU . 53.9 t -68.24 -40.08 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.434 -0.791 . . . . 0.0 109.322 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.49 -57.84 11.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.158 -0.964 . . . . 0.0 110.55 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -60.0 -43.27 95.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 111.987 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -64.26 -40.8 96.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.309 -1.494 . . . . 0.0 110.013 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.486 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 68.5 t80 -68.3 -42.27 79.68 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.551 -0.859 . . . . 0.0 109.287 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p -69.81 -17.4 63.4 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.64 -0.663 . . . . 0.0 109.697 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.35 19.75 21.39 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.99 -40.02 95.45 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.763 -1.434 . . . . 0.0 107.973 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 23' ' ' ASP . 86.6 tt0 -118.83 153.35 34.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.71 -19.49 0.11 Allowed Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' B' ' 21' ' ' GLU . 94.3 m-20 -90.03 86.59 6.62 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.797 -1.414 . . . . 0.0 109.949 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 0.4 OUTLIER -87.68 150.41 23.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 109.819 179.701 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 17.2 t60 75.99 32.83 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.711 0.767 . . . . 0.0 109.137 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.442 ' C ' HD22 ' B' ' 27' ' ' LEU . 29.9 tttm -151.16 111.54 4.17 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.539 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.5 mm? -98.8 114.99 27.8 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.02 -1.05 . . . . 0.0 109.534 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.471 ' NZ ' ' HZ2' ' B' ' 29' ' ' LYS . 58.7 tttm -95.14 166.09 12.09 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HZ2' ' NZ ' ' B' ' 28' ' ' LYS . 24.1 pttm -59.87 -39.93 86.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.923 -1.111 . . . . 0.0 109.826 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -65.16 -38.17 89.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.991 -1.068 . . . . 0.0 108.313 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.99 -31.69 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.7 tp -70.7 -40.32 72.95 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.497 0.665 . . . . 0.0 109.385 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.52 -40.56 97.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 109.157 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.99 -41.96 85.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.279 -0.888 . . . . 0.0 108.84 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.486 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 56.3 tp -59.98 -48.58 81.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.444 -0.785 . . . . 0.0 109.583 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.25 -46.78 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.096 -1.002 . . . . 0.0 110.263 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.82 -43.63 97.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.049 -1.032 . . . . 0.0 110.765 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -86.71 -27.39 23.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.165 -0.959 . . . . 0.0 111.502 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -86.83 -74.8 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.875 -1.141 . . . . 0.0 110.361 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.0 121.62 41.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -125.14 -56.06 1.55 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -72.31 -20.03 61.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.435 -0.791 . . . . 0.0 109.461 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -101.31 0.6 37.49 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.399 -0.813 . . . . 0.0 110.0 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.556 HD13 ' H ' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -139.88 140.42 36.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.29 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.556 ' H ' HD13 ' B' ' 44' ' ' LEU . 20.2 pt-20 -76.47 147.88 37.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 108.752 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -73.72 138.35 44.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.189 -0.945 . . . . 0.0 109.208 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -111.81 119.89 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.99 -20.6 17.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 54.3 mp0 -101.07 128.79 46.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.039 -1.038 . . . . 0.0 110.218 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.93 -32.36 71.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.548 -0.72 . . . . 0.0 110.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.71 -29.53 66.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.101 -0.999 . . . . 0.0 109.264 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.7 t -70.02 -36.75 70.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.96 -40.18 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -61.06 -39.98 91.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.845 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.15 -42.62 95.29 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.3 -40.72 84.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.78 -41.11 96.1 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.657 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.77 -46.33 90.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -73.54 -40.67 63.81 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -79.44 49.7 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.794 -1.191 . . . . 0.0 110.744 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.96 -38.35 82.22 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 20.3 p-10 -60.0 -33.03 71.42 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.377 0.608 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.454 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 96.76 83.79 1.69 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' B' ' 67' ' ' GLU . 98.7 m-20 -142.64 -28.88 0.58 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.769 -0.842 . . . . 0.0 110.53 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.65 10.41 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -133.6 161.6 34.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.0 t -109.33 109.44 20.33 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.746 -1.221 . . . . 0.0 109.38 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -77.14 -177.67 4.64 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 122.304 1.049 . . . . 0.0 111.444 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.49 -41.79 94.97 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.636 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.83 -57.42 12.98 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.9 mt-10 -60.38 -40.02 89.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.988 -1.07 . . . . 0.0 109.355 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.548 ' O ' HG23 ' B' ' 77' ' ' VAL . 64.4 t80 -46.99 -40.77 15.13 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.0 -31.81 69.68 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.47 -0.769 . . . . 0.0 109.252 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -63.71 -59.78 4.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.965 -1.084 . . . . 0.0 109.496 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.87 -39.92 66.12 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 73' ' ' PHE . 53.3 t -60.84 -44.62 98.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.407 ' O ' ' N ' ' B' ' 81' ' ' THR . 83.1 p -67.52 -43.79 79.95 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.354 -0.841 . . . . 0.0 109.797 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.8 ttt -52.87 -42.39 65.2 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 108.852 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.24 -30.14 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 78' ' ' SER . 20.4 m -80.23 -44.55 19.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.402 ' N ' ' O ' ' B' ' 78' ' ' SER . 18.0 m -70.54 -15.9 62.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.616 -0.677 . . . . 0.0 109.793 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.45 68.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.088 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.0 t -90.09 69.88 7.31 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -60.38 -40.49 91.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.191 -0.943 . . . . 0.0 109.401 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -82.4 136.83 34.88 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.485 -0.759 . . . . 0.0 109.064 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -69.94 147.78 49.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.093 -1.005 . . . . 0.0 108.781 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.488 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 51.5 p90 -60.8 126.09 26.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.976 -1.077 . . . . 0.0 109.167 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -113.45 -2.0 14.03 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -130.88 140.66 50.24 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.257 -0.902 . . . . 0.0 109.199 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.068 -0.967 . . . . 0.0 108.763 179.689 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.307 0.575 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.29 -32.67 74.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.91 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.94 -36.26 75.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.265 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.91 -40.4 97.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.95 -38.51 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.825 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.968 . . . . 0.0 109.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.8 mtp -66.18 -48.65 70.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.86 -37.44 71.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.646 -0.659 . . . . 0.0 109.323 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.96 -41.01 90.98 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.97 -1.081 . . . . 0.0 109.284 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.12 -46.38 89.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.155 -0.966 . . . . 0.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.01 -49.81 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.902 -1.124 . . . . 0.0 109.344 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.8 -40.04 86.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 9' ' ' ALA . 54.4 t -69.93 -40.35 78.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.821 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.29 -56.59 15.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.596 -1.315 . . . . 0.0 111.025 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.132 -0.98 . . . . 0.0 111.57 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -67.54 -39.98 85.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.19 -1.569 . . . . 0.0 109.69 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -76.42 -44.21 36.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.172 -0.955 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -73.22 -20.09 60.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.584 -1.322 . . . . 0.0 109.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.81 19.02 23.06 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.7 -44.74 18.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.925 -1.338 . . . . 0.0 109.04 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 15.5 tm-20 -169.33 152.78 5.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.162 -0.961 . . . . 0.0 109.302 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 86.72 90.33 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 48.85 -140.29 0.71 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -1.131 . . . . 0.0 108.976 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -131.17 -39.0 1.2 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.254 -0.904 . . . . 0.0 110.266 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -113.54 12.51 18.6 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.298 -0.876 . . . . 0.0 110.944 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -105.84 121.44 44.07 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 108.942 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.26 124.57 42.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.294 -0.879 . . . . 0.0 109.852 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -90.66 162.58 14.88 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -55.96 -39.01 71.14 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -60.1 -36.47 77.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.095 -1.003 . . . . 0.0 109.202 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.71 -31.24 71.05 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.418 -0.801 . . . . 0.0 109.189 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 32' ' ' LEU . 83.6 mt -70.03 -39.59 75.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.483 -0.761 . . . . 0.0 109.63 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.61 -43.99 97.43 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.317 -0.864 . . . . 0.0 110.532 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.04 -44.48 69.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.985 -1.072 . . . . 0.0 109.943 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.488 HD11 ' OE2' ' A' ' 39' ' ' GLU . 36.3 tp -60.03 -49.68 76.71 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.42 -0.8 . . . . 0.0 108.966 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 40' ' ' LEU . 83.2 mt -60.04 -48.92 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.588 -0.695 . . . . 0.0 110.357 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -60.63 -40.02 90.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 110.595 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.29 -42.39 45.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.089 -1.007 . . . . 0.0 110.27 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.488 ' OE2' HD11 ' A' ' 35' ' ' LEU . 98.9 mt-10 -88.45 -75.15 0.43 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.367 -0.833 . . . . 0.0 110.994 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 mt -92.43 102.72 15.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.071 -1.018 . . . . 0.0 110.333 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p -140.48 -49.57 0.45 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -83.36 0.88 44.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.43 -16.19 11.98 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.1 tp -133.59 154.99 50.45 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.09 140.55 56.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.282 -0.887 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.18 148.8 51.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 109.83 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 mm -72.04 128.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 108.941 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -94.64 -72.23 0.63 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.262 -0.899 . . . . 0.0 110.332 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -109.99 152.59 25.7 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.403 -0.811 . . . . 0.0 110.205 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.0 tt0 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.398 -0.814 . . . . 0.0 109.054 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.25 -36.54 9.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.17 -0.956 . . . . 0.0 109.597 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.56 -34.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' GLN . 62.5 t -70.83 -41.61 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.613 -0.68 . . . . 0.0 109.534 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.08 -40.24 88.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.269 -0.894 . . . . 0.0 109.539 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.27 -49.4 77.22 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.27 -40.93 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.04 -45.37 92.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.274 -0.891 . . . . 0.0 108.887 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.13 -49.28 78.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.408 -0.807 . . . . 0.0 109.137 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -68.94 -39.99 79.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.537 -0.727 . . . . 0.0 109.52 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.8 -40.03 76.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.333 -0.854 . . . . 0.0 109.552 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 49.2 t0 -66.43 102.48 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.185 -0.947 . . . . 0.0 109.599 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.92 -40.86 98.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.378 -0.826 . . . . 0.0 110.641 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 17.3 p-10 -98.19 -2.74 39.1 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.145 -0.972 . . . . 0.0 110.891 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 27.88 73.29 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.684 -1.246 . . . . 0.0 110.101 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 35.6 p-10 -73.38 -5.41 39.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.128 -1.219 . . . . 0.0 110.362 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.8 76.75 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 68' ' ' CYS . 15.7 tm-20 -157.48 158.36 35.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 67' ' ' GLU . 79.2 m -113.95 104.47 12.19 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.928 -1.107 . . . . 0.0 109.397 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 12.9 t70 -71.78 175.64 5.57 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 122.224 1.011 . . . . 0.0 111.324 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.465 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.5 t80 -60.97 -45.64 93.97 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.684 0.754 . . . . 0.0 109.129 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.453 HE22 HG21 ' B' ' 82' ' ' THR . 20.4 mm100 -59.93 -55.16 37.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 109.098 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.9 mt-10 -59.92 -42.05 93.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.76 -1.212 . . . . 0.0 108.602 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -46.8 -39.04 11.09 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 tpt -67.52 -32.3 73.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.2 -54.99 33.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -52.4 -39.94 61.52 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.63 -41.05 86.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.2 p -71.82 -48.05 48.98 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.532 -0.73 . . . . 0.0 110.307 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -50.79 -39.96 54.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.139 -0.976 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.85 -27.83 39.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -79.49 -47.33 15.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.506 HG21 HE22 ' B' ' 71' ' ' GLN . 40.2 p -69.94 -13.78 62.41 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.404 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.86 -47.17 31.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 108.956 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -77.74 140.34 39.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.533 -0.73 . . . . 0.0 109.339 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -73.72 131.5 41.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.245 -0.909 . . . . 0.0 109.471 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.27 -30.91 71.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.241 -0.912 . . . . 0.0 109.514 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 56.5 t80 -70.2 -2.46 13.26 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.9 t80 55.82 31.05 16.9 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 139.99 57.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.558 -0.714 . . . . 0.0 109.658 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -98.27 124.63 42.98 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.366 -0.834 . . . . 0.0 109.327 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 50.1 mp0 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.373 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.387 0.613 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.7 -32.25 73.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.332 -0.855 . . . . 0.0 109.836 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.03 -36.46 75.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.08 -1.012 . . . . 0.0 110.271 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.72 -40.69 97.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.251 -0.906 . . . . 0.0 109.585 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.72 -38.41 91.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 109.773 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.13 90.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -66.23 -48.49 70.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.406 -0.809 . . . . 0.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -60.08 -37.29 72.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.665 -0.647 . . . . 0.0 109.275 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.95 90.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.983 -1.073 . . . . 0.0 109.304 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.16 -46.49 89.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.202 -0.936 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -59.98 -49.97 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 120.918 -1.114 . . . . 0.0 109.232 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.53 -39.98 85.7 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.89 -40.23 78.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.393 -0.817 . . . . 0.0 109.821 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.54 -56.51 15.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.302 . . . . 0.0 111.005 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.174 -0.954 . . . . 0.0 111.508 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -67.49 -40.0 85.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.189 -1.569 . . . . 0.0 109.747 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.29 -44.21 38.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.327 -0.858 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.6 p -73.41 -19.94 60.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.618 -1.301 . . . . 0.0 109.897 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.59 18.88 22.58 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -80.54 -44.65 18.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.882 -1.364 . . . . 0.0 109.216 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.485 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.5 tm-20 -169.46 152.87 4.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.317 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.485 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 86.56 90.34 0.96 Allowed Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 48.82 -140.09 0.72 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.195 -1.179 . . . . 0.0 109.038 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -131.31 -39.07 1.17 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.123 -0.986 . . . . 0.0 110.256 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -113.62 12.38 18.47 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.335 -0.853 . . . . 0.0 110.956 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -105.81 121.3 43.77 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.039 -1.038 . . . . 0.0 109.004 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.16 124.41 42.71 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.303 -0.873 . . . . 0.0 109.873 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -90.51 162.48 15.02 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -55.78 -39.22 70.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.004 -1.06 . . . . 0.0 109.23 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 97.1 p -60.04 -36.14 76.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.947 -1.096 . . . . 0.0 109.198 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.04 -31.19 70.68 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.327 -0.858 . . . . 0.0 109.112 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.97 -39.52 75.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.505 -0.747 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.9 -43.93 97.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 110.445 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -69.93 -44.53 69.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.065 -1.022 . . . . 0.0 110.005 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.494 HD11 ' OE2' ' B' ' 39' ' ' GLU . 37.9 tp -60.04 -49.51 77.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.344 -0.847 . . . . 0.0 109.092 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.432 ' O ' ' O ' ' B' ' 40' ' ' LEU . 84.9 mt -60.13 -49.02 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.266 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -60.66 -40.07 90.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.111 -0.993 . . . . 0.0 110.568 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -76.2 -42.23 46.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.494 ' OE2' HD11 ' B' ' 35' ' ' LEU . 98.9 mt-10 -88.74 -75.17 0.44 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.322 -0.861 . . . . 0.0 110.866 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.6 mt -92.5 102.72 15.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.302 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.5 p -140.5 -49.52 0.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -83.37 0.92 43.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.636 -0.665 . . . . 0.0 109.902 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.46 -16.08 11.97 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -133.63 154.87 50.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 109.289 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -59.98 140.37 56.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.341 -0.849 . . . . 0.0 109.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.02 148.56 51.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.312 -0.867 . . . . 0.0 109.898 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.81 128.0 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.908 . . . . 0.0 109.087 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.76 -72.0 0.64 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.277 -0.889 . . . . 0.0 110.266 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -109.97 152.55 25.73 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.437 -0.789 . . . . 0.0 110.297 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.1 tt0 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.381 -0.824 . . . . 0.0 108.962 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.22 -36.76 9.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 109.569 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.7 t -67.42 -34.34 68.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 108.37 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' GLN . 53.0 t -70.83 -41.59 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.687 -0.633 . . . . 0.0 109.543 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -59.99 -40.33 88.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.666 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.22 -49.55 76.69 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.05 -40.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 tpt -63.08 -45.5 91.83 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.295 -0.878 . . . . 0.0 108.818 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.97 -49.62 76.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.005 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.82 -39.91 79.76 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.602 -0.686 . . . . 0.0 109.54 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.67 -40.43 76.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.543 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 49.3 t0 -66.25 102.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.026 -1.046 . . . . 0.0 109.646 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.77 -40.96 98.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.672 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 17.2 p-10 -98.29 -2.51 39.33 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.045 -1.034 . . . . 0.0 110.911 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 27.73 73.06 Favored Glycine 0 N--CA 1.494 2.529 0 C-N-CA 119.689 -1.243 . . . . 0.0 110.224 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 35.1 p-10 -73.05 -5.65 40.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.157 -1.202 . . . . 0.0 110.244 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.14 24.6 75.34 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 68' ' ' CYS . 15.7 tm-20 -158.07 158.09 34.12 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 67' ' ' GLU . 82.0 m -113.63 104.52 12.32 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.856 -1.153 . . . . 0.0 109.403 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.0 t70 -72.05 175.66 5.75 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.977 0.894 . . . . 0.0 111.319 -178.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 62.3 t80 -60.71 -45.84 92.68 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.698 0.761 . . . . 0.0 109.198 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.506 HE22 HG21 ' A' ' 82' ' ' THR . 20.5 mm100 -59.82 -55.1 38.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.296 -0.877 . . . . 0.0 109.211 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -60.08 -41.96 93.58 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.843 -1.16 . . . . 0.0 108.523 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -46.89 -39.04 11.39 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.3 tpt -67.5 -32.22 72.9 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.34 -54.96 32.94 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -52.2 -39.98 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -41.19 87.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.472 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.3 p -71.79 -47.98 49.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.467 -0.771 . . . . 0.0 110.221 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.5 ttt -50.74 -40.05 53.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 109.069 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.78 -27.75 39.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.472 ' N ' ' O ' ' B' ' 78' ' ' SER . 22.0 m -79.52 -47.55 15.37 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.453 HG21 HE22 ' A' ' 71' ' ' GLN . 41.5 p -69.85 -13.68 62.38 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.519 -0.738 . . . . 0.0 109.452 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.62 -47.45 32.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.284 -0.885 . . . . 0.0 108.911 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.4 t -77.63 140.15 39.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.616 -0.678 . . . . 0.0 109.416 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -73.53 131.68 42.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 0.0 109.442 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -65.64 -30.62 71.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.29 -0.881 . . . . 0.0 109.52 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' B' ' 87' ' ' PHE . 56.5 t80 -70.31 -2.57 13.9 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 25.9 t80 55.96 30.91 16.91 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.02 140.04 57.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.54 -0.725 . . . . 0.0 109.684 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -98.43 124.75 43.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.406 -0.809 . . . . 0.0 109.179 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 50.0 mp0 . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.383 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -36.73 77.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.979 . . . . 0.0 110.3 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.89 -35.82 77.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.797 -1.189 . . . . 0.0 110.075 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.23 -40.02 92.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.0 -35.39 74.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.599 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.91 75.84 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.279 -0.888 . . . . 0.0 109.63 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.69 -41.34 83.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.034 -1.041 . . . . 0.0 109.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.01 -39.97 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.907 . . . . 0.0 109.484 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.1 85.37 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.116 -0.99 . . . . 0.0 109.668 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -60.04 -46.15 90.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.988 -1.07 . . . . 0.0 109.64 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.04 -51.4 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.917 -1.115 . . . . 0.0 109.675 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.5 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 83.2 m-20 -64.94 -41.8 95.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.173 -0.955 . . . . 0.0 109.646 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.94 -43.83 79.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.257 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.31 -54.36 46.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 110.765 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.93 -41.46 91.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.957 . . . . 0.0 112.154 -176.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.502 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 1.1 mp0 -69.83 -40.36 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.039 -1.663 . . . . 0.0 109.661 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -72.81 -44.32 61.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.2 -0.938 . . . . 0.0 109.839 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.7 t -71.39 -22.74 61.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.017 -1.052 . . . . 0.0 110.739 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.06 20.32 33.69 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -70.41 -39.56 74.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.978 -1.307 . . . . 0.0 109.327 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.9 tt0 -165.62 160.94 18.0 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.09 175.62 40.83 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 89.0 m-20 -49.94 -99.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.993 . . . . 0.0 109.83 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 87.9 tttt -173.15 127.55 0.45 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.178 -0.952 . . . . 0.0 109.912 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 10.7 t60 84.39 0.38 0.91 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 122.038 -0.414 . . . . 0.0 110.157 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -110.1 119.48 39.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.33 -0.856 . . . . 0.0 109.314 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.9 mp -96.27 120.88 37.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.999 -1.063 . . . . 0.0 109.472 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -91.64 162.0 14.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.494 0.664 . . . . 0.0 110.152 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HZ1' ' N ' ' A' ' 54' ' ' ASP . 38.0 tttp -52.21 -47.61 65.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.541 -0.725 . . . . 0.0 109.636 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.186 -0.946 . . . . 0.0 109.791 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.4 mt-10 -69.69 -39.74 76.78 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.922 0.868 . . . . 0.0 108.74 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.97 -48.92 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.366 0.603 . . . . 0.0 109.815 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.29 -40.07 89.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.339 -0.851 . . . . 0.0 110.602 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.0 -45.6 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD11 ' OE1' ' A' ' 39' ' ' GLU . 59.2 tp -60.02 -49.51 77.39 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.321 -0.862 . . . . 0.0 110.374 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -47.12 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 110.206 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -75.06 -23.46 58.07 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.341 -0.85 . . . . 0.0 110.769 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -91.39 -0.46 57.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.849 -1.157 . . . . 0.0 111.615 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.9 mt-10 -147.04 -41.74 0.18 Allowed 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.593 -1.317 . . . . 0.0 111.169 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -90.18 0.8 57.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.013 -1.055 . . . . 0.0 110.714 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.3 t -60.02 -39.45 85.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.873 -1.142 . . . . 0.0 108.851 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -67.56 -21.61 65.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.406 -0.809 . . . . 0.0 110.317 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -103.19 -18.27 14.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.085 -1.009 . . . . 0.0 109.11 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -138.84 135.16 34.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.394 -0.816 . . . . 0.0 109.64 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.39 86.65 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 54.0 tt0 -171.7 -130.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.355 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.2 mt 39.96 59.83 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 109.272 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -93.96 -5.78 46.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.351 -0.843 . . . . 0.0 110.202 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.04 136.47 54.55 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.352 -0.842 . . . . 0.0 110.049 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.46 -40.05 89.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.476 -0.765 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -53.71 -29.52 39.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 109.783 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.45 -37.49 77.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.205 -0.934 . . . . 0.0 108.922 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.33 -41.25 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.565 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 61.5 t0 -59.96 -43.58 94.96 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.933 . . . . 0.0 110.372 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.24 -40.78 95.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 108.976 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.88 -40.97 86.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.71 -0.619 . . . . 0.0 109.864 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 35.1 ttm -60.01 -49.52 77.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.03 -42.08 93.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.171 -0.956 . . . . 0.0 110.278 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.342 -0.848 . . . . 0.0 109.93 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.49 -39.95 70.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.51 -0.744 . . . . 0.0 110.596 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.92 102.2 2.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.98 -1.075 . . . . 0.0 110.518 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.11 -40.74 94.92 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.428 -0.795 . . . . 0.0 109.218 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -87.88 -14.04 40.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 110.485 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.95 30.02 70.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -74.27 -2.8 26.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -1.212 . . . . 0.0 110.119 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 5.06 89.62 Favored Glycine 0 N--CA 1.492 2.368 0 C-N-CA 119.803 -1.189 . . . . 0.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -140.1 159.99 40.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.075 -1.25 . . . . 0.0 108.158 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.7 t -102.06 106.46 17.35 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.932 -1.105 . . . . 0.0 109.299 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -73.32 178.95 4.2 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.885 0.85 . . . . 0.0 110.821 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 56.9 t80 -61.2 -49.2 78.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.574 0.702 . . . . 0.0 109.691 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.48 -54.05 50.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.057 -1.027 . . . . 0.0 108.885 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -59.99 -42.94 95.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.936 -1.103 . . . . 0.0 108.708 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -50.18 -39.96 45.43 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -68.66 -32.23 71.92 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' SER . . . -64.24 -57.87 8.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 108.838 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.84 -35.48 10.32 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.96 -41.65 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 75' ' ' ALA . 52.5 p -73.2 -48.65 33.31 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' SER . 46.6 ttm -43.73 -40.04 4.04 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 81' ' ' THR . 26.5 t -55.67 -84.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.431 ' N ' HG12 ' A' ' 80' ' ' VAL . 78.9 p -42.18 -52.77 4.27 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.747 -1.221 . . . . 0.0 113.066 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.4 p -60.03 -31.99 70.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.223 -1.548 . . . . 0.0 110.399 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.45 -35.88 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.118 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 93.1 m -88.11 130.56 34.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.611 -0.681 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -80.52 152.35 28.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.908 . . . . 0.0 109.141 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.16 141.38 58.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.08 -1.013 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 46.8 t80 -166.67 5.89 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.435 -0.791 . . . . 0.0 109.74 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' A' ' 87' ' ' PHE . 33.9 t80 49.08 -178.02 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 0.0 109.832 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 78.7 mm-40 -90.3 146.6 24.09 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.16 -0.962 . . . . 0.0 109.437 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -139.76 148.91 42.92 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.205 -0.934 . . . . 0.0 109.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.282 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.02 -36.76 77.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.128 -0.982 . . . . 0.0 110.48 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.13 -35.56 76.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.775 -1.203 . . . . 0.0 109.909 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.27 -40.02 92.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.092 -1.005 . . . . 0.0 109.08 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.03 -35.07 74.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.719 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.331 -0.856 . . . . 0.0 109.69 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.94 -41.36 82.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.092 -1.005 . . . . 0.0 110.12 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.93 -40.08 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.315 -0.865 . . . . 0.0 109.477 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.17 85.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.071 -1.018 . . . . 0.0 109.607 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.09 -46.09 90.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.966 -1.084 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.04 -51.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.659 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.513 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 83.2 m-20 -64.99 -41.79 95.1 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 0.0 109.66 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.0 t -70.02 -43.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -60.37 -54.25 47.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 110.724 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.01 -41.23 91.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.113 -0.992 . . . . 0.0 112.239 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.1 mp0 -70.02 -40.19 75.36 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.068 -1.645 . . . . 0.0 109.742 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -72.97 -44.09 61.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 109.833 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.9 t -71.43 -22.92 61.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.22 20.43 33.6 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -70.52 -39.27 74.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.324 . . . . 0.0 109.35 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.46 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 87.9 tt0 -165.58 160.77 17.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 109.389 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 92.95 175.82 41.03 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLY . 88.9 m-20 -50.03 -99.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.466 -1.02 . . . . 0.0 109.824 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 85.8 tttt -173.5 127.65 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.889 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.528 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 10.6 t60 84.3 0.49 0.93 Allowed 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 120.979 0.419 . . . . 0.0 110.176 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -110.17 119.27 38.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.331 -0.856 . . . . 0.0 109.314 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.499 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.9 mp -96.31 120.73 37.14 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.929 -1.107 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -91.69 162.24 14.57 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.512 0.672 . . . . 0.0 110.301 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.571 ' HZ1' ' N ' ' B' ' 54' ' ' ASP . 39.2 tttp -52.16 -47.85 65.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 109.513 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.171 -0.956 . . . . 0.0 109.684 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 98.9 mt-10 -69.55 -39.85 77.18 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.932 0.872 . . . . 0.0 108.683 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.99 -48.83 80.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.366 0.603 . . . . 0.0 109.906 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.34 -40.23 89.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.338 -0.851 . . . . 0.0 110.444 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.04 -45.67 92.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.96 -49.52 77.35 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.43 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.02 -47.05 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.855 . . . . 0.0 110.328 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -75.14 -23.61 57.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.177 -0.952 . . . . 0.0 110.733 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -91.21 -0.58 57.72 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.856 -1.153 . . . . 0.0 111.673 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -146.99 -41.82 0.18 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.533 -1.354 . . . . 0.0 111.131 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.555 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.2 mp -90.06 0.85 56.91 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.003 -1.061 . . . . 0.0 110.721 -178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -60.12 -39.41 86.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.839 -1.163 . . . . 0.0 108.846 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.73 -21.44 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -103.24 -18.06 15.06 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.093 -1.005 . . . . 0.0 109.172 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -139.24 135.29 33.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.404 -0.81 . . . . 0.0 109.549 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.27 86.68 2.49 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 47' ' ' ILE . 54.0 tt0 -171.75 -130.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.44 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' B' ' 46' ' ' GLU . 40.1 mt 39.95 59.67 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.575 -0.703 . . . . 0.0 109.305 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -93.95 -5.54 47.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.23 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -120.0 136.35 54.58 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.397 -0.815 . . . . 0.0 109.991 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.45 -39.94 89.34 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.452 -0.78 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -53.74 -29.41 39.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.086 -1.009 . . . . 0.0 109.861 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.52 -37.53 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 108.941 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.491 HG12 ' HZ2' ' B' ' 29' ' ' LYS . 94.7 t -70.5 -40.84 77.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.571 ' N ' ' HZ1' ' B' ' 29' ' ' LYS . 62.3 t0 -60.01 -43.96 94.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.16 -40.93 95.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 108.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.91 -40.74 86.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.662 -0.649 . . . . 0.0 109.896 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.96 -49.67 76.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.85 -1.156 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.96 -42.07 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.16 -0.962 . . . . 0.0 110.296 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.06 -39.95 75.37 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.95 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.19 -41.22 70.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.433 -0.792 . . . . 0.0 110.402 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.49 102.14 1.74 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.766 -1.209 . . . . 0.0 110.654 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.18 -40.65 94.72 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.384 -0.822 . . . . 0.0 109.24 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.91 -14.14 40.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.321 -0.862 . . . . 0.0 110.511 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.05 70.2 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 119.811 -1.185 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 p-10 -74.39 -2.78 26.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.115 -1.227 . . . . 0.0 110.172 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.92 5.03 89.68 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.213 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -140.22 159.96 41.02 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.235 . . . . 0.0 108.26 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.89 106.42 17.38 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.887 -1.133 . . . . 0.0 109.341 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.1 t70 -73.08 179.07 3.97 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.891 0.853 . . . . 0.0 110.892 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 56.9 t80 -61.55 -48.9 78.89 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.632 0.73 . . . . 0.0 109.656 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.55 -54.1 49.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.035 -1.041 . . . . 0.0 108.886 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.4 mt-10 -60.02 -43.07 95.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.953 -1.092 . . . . 0.0 108.608 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -49.95 -40.05 42.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.3 tpt -68.67 -31.98 71.47 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.65 -57.57 8.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.148 -0.97 . . . . 0.0 108.871 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.86 -35.41 10.31 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.99 -41.83 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 75' ' ' ALA . 52.5 p -73.06 -48.67 33.94 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.401 ' N ' ' O ' ' B' ' 75' ' ' ALA . 48.1 ttm -43.77 -40.0 4.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.433 HG12 ' N ' ' B' ' 81' ' ' THR . 36.8 t -55.71 -84.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.433 ' N ' HG12 ' B' ' 80' ' ' VAL . 75.9 p -42.06 -52.81 4.14 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.719 -1.238 . . . . 0.0 113.007 -177.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 80.6 p -60.14 -32.1 70.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.237 -1.54 . . . . 0.0 110.35 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.93 68.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.108 -0.995 . . . . 0.0 109.108 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m -88.0 130.49 34.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.722 . . . . 0.0 109.522 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.4 p-80 -80.64 152.17 28.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.234 -0.916 . . . . 0.0 109.166 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.03 141.29 58.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.117 -0.989 . . . . 0.0 109.354 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 46.9 t80 -166.56 5.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.351 -0.843 . . . . 0.0 109.738 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 87' ' ' PHE . 32.4 t80 49.4 -177.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.759 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' B' ' 88' ' ' PHE . 78.6 mm-40 -90.7 146.61 23.87 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.175 -0.953 . . . . 0.0 109.372 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -140.01 148.83 42.41 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.325 -0.859 . . . . 0.0 109.528 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.404 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.273 0.559 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.01 -33.59 72.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -72.03 -32.73 67.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.958 . . . . 0.0 109.311 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.96 -46.12 92.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.98 -40.02 96.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.418 -0.801 . . . . 0.0 109.857 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.28 89.97 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.143 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.1 ttm -61.68 -49.47 76.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.94 . . . . 0.0 109.736 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -39.98 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.28 90.7 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.964 -1.085 . . . . 0.0 108.206 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -59.96 -50.88 72.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.717 . . . . 0.0 110.126 -178.591 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.07 -49.91 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.925 -1.109 . . . . 0.0 109.489 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -57.4 -40.03 77.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.044 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.371 -0.831 . . . . 0.0 110.331 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -62.14 -58.31 8.26 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.889 -1.132 . . . . 0.0 111.177 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -59.95 -40.79 90.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.827 -1.171 . . . . 0.0 111.942 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.39 -40.02 95.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.295 -1.503 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -72.08 -46.56 56.31 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.543 -0.723 . . . . 0.0 109.736 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.0 p -72.93 -19.57 61.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 110.137 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.41 15.88 55.07 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -78.27 -44.14 26.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.054 -1.263 . . . . 0.0 109.26 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -151.09 130.93 13.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 109.237 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.52 -179.91 36.19 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.68 149.88 38.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -1.124 . . . . 0.0 110.151 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 61.7 mttm -70.06 146.49 50.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 109.514 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER 81.23 21.83 0.35 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.614 0.721 . . . . 0.0 109.332 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -151.06 107.86 3.54 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.0 mp -96.51 120.38 36.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.107 -0.996 . . . . 0.0 109.861 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 14.3 ttmm -92.43 166.83 12.36 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.431 -0.793 . . . . 0.0 109.593 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -52.41 -42.76 64.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.808 -1.182 . . . . 0.0 109.325 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -59.97 -39.68 86.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.282 -0.886 . . . . 0.0 108.979 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 28' ' ' LYS . 45.1 mt-10 -68.05 -39.04 83.1 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.95 -45.63 92.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.575 -0.703 . . . . 0.0 109.493 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.945 -1.097 . . . . 0.0 109.468 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.19 -43.51 98.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -59.43 -48.59 81.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.423 -0.798 . . . . 0.0 109.435 -178.768 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.9 -40.22 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.917 -1.114 . . . . 0.0 110.24 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -75.36 -20.79 58.8 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.32 -0.862 . . . . 0.0 111.693 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -60.65 -61.71 2.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 111.891 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -145.42 -14.49 0.5 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.62 -1.3 . . . . 0.0 110.443 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -82.12 111.41 18.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.687 -1.258 . . . . 0.0 109.086 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 t -156.05 -35.32 0.09 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -64.93 -37.37 87.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.528 -0.733 . . . . 0.0 109.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' C ' HD22 ' A' ' 44' ' ' LEU . 96.8 m-85 -98.98 -2.76 36.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.329 -0.857 . . . . 0.0 109.787 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.7 mm? -113.66 140.72 47.99 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.389 -0.82 . . . . 0.0 109.31 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -72.72 149.83 43.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.114 -0.991 . . . . 0.0 108.596 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.63 138.59 58.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.111 -0.993 . . . . 0.0 109.63 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 94.3 mt -107.39 120.11 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.01 10.45 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.344 -0.847 . . . . 0.0 109.685 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -120.9 137.62 54.5 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.506 -0.746 . . . . 0.0 109.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' A' ' 53' ' ' VAL . 58.9 tt0 -61.04 -34.25 74.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.125 -0.984 . . . . 0.0 108.797 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLN . 98.1 mt-10 -45.74 -29.94 1.45 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.37 -0.831 . . . . 0.0 108.852 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.71 -34.33 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.6 t -65.07 -45.1 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.97 91.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -0.853 . . . . 0.0 109.886 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.06 -47.95 83.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.028 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.27 -41.05 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.518 -0.739 . . . . 0.0 109.661 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' ASP . 78.3 mtp -68.44 -39.97 81.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.09 -1.006 . . . . 0.0 109.953 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.14 -50.01 75.4 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.141 -0.975 . . . . 0.0 109.304 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.55 -40.01 77.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.463 -0.773 . . . . 0.0 109.615 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 tp -70.13 -40.01 75.1 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 56.1 t0 -74.7 70.39 1.85 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 110.832 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -70.57 -32.9 70.47 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 6.8 p-10 -60.0 -39.9 87.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.795 -0.566 . . . . 0.0 110.826 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 88.87 89.23 1.18 Allowed Glycine 0 N--CA 1.486 2.021 0 N-CA-C 107.739 -2.144 . . . . 0.0 107.739 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 67' ' ' GLU . 18.5 p-10 -160.82 -16.59 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.637 -0.919 . . . . 0.0 111.064 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 80.36 0.07 85.84 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' A' ' 65' ' ' ASP . 98.6 mt-10 -140.48 166.37 24.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.55 -0.971 . . . . 0.0 108.808 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.6 m -103.82 102.89 12.7 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.982 -1.073 . . . . 0.0 108.915 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -70.55 177.11 3.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.582 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.45 -50.16 74.7 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.494 0.664 . . . . 0.0 110.158 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -60.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 109.218 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 75' ' ' ALA . 86.5 tt0 -60.02 -43.61 95.14 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.464 -1.397 . . . . 0.0 107.818 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.6 -39.97 18.2 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.07 -29.72 71.04 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.149 -0.97 . . . . 0.0 108.734 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.16 -55.32 22.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -56.29 -40.44 74.29 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.13 -45.13 99.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.8 p -68.81 -44.26 73.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 110.088 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' ALA . 59.7 mmm -57.55 -40.02 77.97 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.0 -28.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.5 m -83.97 -45.2 13.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -72.97 -18.05 61.41 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.26 0.553 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -84.42 -47.46 10.64 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p -69.41 132.33 46.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.145 -0.972 . . . . 0.0 110.46 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.45 146.62 30.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.509 -0.744 . . . . 0.0 109.124 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -60.48 134.31 56.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.165 -0.959 . . . . 0.0 110.288 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -94.24 -1.71 53.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.471 -0.768 . . . . 0.0 109.199 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -86.82 21.98 2.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.163 -0.961 . . . . 0.0 109.878 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.21 136.47 58.04 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 109.008 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -155.7 160.01 40.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.22 -0.925 . . . . 0.0 109.787 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.605 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.362 0.601 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.08 -33.52 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 0.0 109.635 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.556 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -72.06 -32.84 67.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.162 -0.961 . . . . 0.0 109.368 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.75 -46.38 90.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.036 -1.04 . . . . 0.0 109.441 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.86 -40.05 96.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 109.833 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.28 89.9 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.111 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.5 ttm -61.84 -49.35 76.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.619 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.456 -0.777 . . . . 0.0 109.352 -178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.27 90.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.891 -1.131 . . . . 0.0 108.26 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -59.99 -50.85 72.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.447 -0.783 . . . . 0.0 110.212 -178.644 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.96 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.903 -1.123 . . . . 0.0 109.482 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -57.34 -40.01 77.11 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.488 -0.758 . . . . 0.0 109.038 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.91 -40.08 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 110.262 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.32 -58.13 8.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.861 -1.15 . . . . 0.0 111.228 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -60.03 -40.73 90.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.868 -1.145 . . . . 0.0 112.066 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.47 -40.02 94.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.319 -1.488 . . . . 0.0 109.975 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -71.94 -46.55 57.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.532 -0.73 . . . . 0.0 109.779 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.177 -0.952 . . . . 0.0 110.211 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.54 15.72 55.98 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -78.24 -44.17 26.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.257 . . . . 0.0 109.29 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -151.12 130.93 13.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.253 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.62 -179.85 36.02 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.86 149.74 37.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.306 -1.114 . . . . 0.0 110.101 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.607 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 61.3 mttm -70.0 146.57 50.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.485 -0.759 . . . . 0.0 109.47 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.607 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER 81.4 21.59 0.34 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.561 0.696 . . . . 0.0 109.301 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -150.78 107.56 3.54 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.568 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.0 mp -96.41 120.42 36.69 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.138 -0.976 . . . . 0.0 109.884 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 14.3 ttmm -92.47 166.91 12.3 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.563 -0.71 . . . . 0.0 109.58 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -52.6 -42.8 64.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.815 -1.178 . . . . 0.0 109.244 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.01 -39.56 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.881 . . . . 0.0 108.93 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' B' ' 28' ' ' LYS . 45.2 mt-10 -68.01 -39.21 83.21 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.508 HD13 ' O ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -61.64 -45.84 92.32 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 109.551 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.98 . . . . 0.0 109.492 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.21 -43.3 99.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.347 -0.846 . . . . 0.0 109.357 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -59.63 -48.51 81.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.425 -178.676 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.18 -39.96 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 110.262 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -75.32 -20.89 58.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -0.891 . . . . 0.0 111.643 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.63 -61.7 2.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.698 -1.251 . . . . 0.0 111.867 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -145.4 -14.44 0.5 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.75 -1.219 . . . . 0.0 110.474 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.518 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.4 mm? -82.39 111.8 18.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.845 -1.159 . . . . 0.0 109.058 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -156.29 -35.15 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -65.1 -37.29 87.03 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.598 -0.688 . . . . 0.0 109.257 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.475 ' C ' HD22 ' B' ' 44' ' ' LEU . 96.8 m-85 -99.11 -2.5 36.84 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.839 . . . . 0.0 109.688 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.475 HD22 ' C ' ' B' ' 43' ' ' PHE . 3.5 mm? -114.0 140.63 48.28 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.371 -0.831 . . . . 0.0 109.339 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.68 149.62 43.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 108.694 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.36 138.7 58.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.116 -0.99 . . . . 0.0 109.658 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -107.48 120.19 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.0 10.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.336 -0.853 . . . . 0.0 109.671 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -120.85 137.53 54.52 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.513 -0.742 . . . . 0.0 109.85 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' B' ' 53' ' ' VAL . 59.0 tt0 -61.02 -34.11 74.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.114 -0.991 . . . . 0.0 108.813 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -45.85 -30.05 1.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.36 -0.838 . . . . 0.0 108.863 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.52 -34.55 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.4 t -64.99 -44.71 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.78 . . . . 0.0 109.056 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.0 -41.01 91.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.14 -48.26 82.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.027 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.02 -40.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 109.675 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.408 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.2 mtp -68.37 -40.03 81.57 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.149 -0.969 . . . . 0.0 110.042 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -50.01 75.4 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.238 -0.914 . . . . 0.0 109.226 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.61 -39.98 76.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.47 -0.769 . . . . 0.0 109.531 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.0 tp -70.03 -40.35 75.23 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.503 -0.748 . . . . 0.0 109.005 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' B' ' 57' ' ' MET . 56.1 t0 -74.59 70.39 1.8 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.321 -0.862 . . . . 0.0 110.968 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -70.24 -32.92 70.99 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 6.7 p-10 -59.97 -40.01 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.792 -0.567 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 89.02 89.24 1.2 Allowed Glycine 0 N--CA 1.486 2.022 0 N-CA-C 107.694 -2.162 . . . . 0.0 107.694 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' B' ' 67' ' ' GLU . 19.2 p-10 -160.85 -16.51 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.641 -0.917 . . . . 0.0 111.082 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 80.39 -0.08 85.6 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.481 ' H ' ' CG ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -140.23 166.38 24.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.643 -0.916 . . . . 0.0 108.859 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.5 m -103.94 103.08 12.88 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.921 -1.112 . . . . 0.0 108.837 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -70.44 177.24 3.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 110.63 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.62 -50.07 74.98 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.419 0.628 . . . . 0.0 110.07 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.95 -51.61 68.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.207 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ALA . 86.5 tt0 -59.93 -43.8 94.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.446 -1.409 . . . . 0.0 107.806 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.49 -39.92 17.16 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.11 -29.89 71.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 108.628 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.03 -55.43 22.34 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.78 -40.92 73.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.85 -45.38 98.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 79.3 p -68.68 -44.32 74.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.572 -0.705 . . . . 0.0 110.104 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.451 ' O ' ' N ' ' B' ' 83' ' ' ALA . 58.8 mmm -57.59 -40.12 78.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.586 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.02 -28.24 44.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -84.36 -44.67 13.54 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -73.54 -17.79 61.16 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.736 -0.603 . . . . 0.0 109.709 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -84.6 -47.26 10.72 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.226 -0.921 . . . . 0.0 109.98 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p -69.16 132.44 46.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.259 -0.9 . . . . 0.0 110.549 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -81.53 146.72 30.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.533 -0.73 . . . . 0.0 109.109 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -60.8 134.29 56.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.078 -1.014 . . . . 0.0 110.169 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -94.12 -1.88 53.6 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.422 -0.799 . . . . 0.0 109.117 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -86.73 21.92 2.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.19 -0.944 . . . . 0.0 109.903 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.17 136.36 58.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.115 -0.99 . . . . 0.0 109.103 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -155.55 160.2 40.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.136 -0.977 . . . . 0.0 109.857 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.587 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -59.93 -30.07 68.81 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.221 -0.924 . . . . 0.0 109.61 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.83 -34.03 73.09 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.093 -1.004 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.4 -45.15 94.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 110.001 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.186 -0.946 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.73 76.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 108.969 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mtp -62.04 -49.97 73.86 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.546 0.689 . . . . 0.0 109.143 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.09 -39.96 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.67 -0.644 . . . . 0.0 110.215 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.16 -39.98 73.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.063 -1.023 . . . . 0.0 109.482 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.52 -46.03 91.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.123 -0.986 . . . . 0.0 110.137 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.05 -51.36 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.936 -1.102 . . . . 0.0 109.68 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -59.9 -41.27 91.27 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 108.701 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.97 -43.52 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.377 -0.827 . . . . 0.0 109.982 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.47 -56.43 16.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.051 -1.031 . . . . 0.0 110.049 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -59.92 -43.59 94.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.939 -1.101 . . . . 0.0 111.398 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -70.02 -40.24 75.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.227 -1.546 . . . . 0.0 109.41 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.562 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.0 t80 -72.29 -40.39 67.6 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.578 0.704 . . . . 0.0 109.661 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 m -77.22 -19.93 55.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.326 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 19.81 36.11 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 120.964 -1.085 . . . . 0.0 110.434 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -82.67 -45.31 14.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.776 -1.426 . . . . 0.0 109.84 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -127.57 142.15 51.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.551 -0.718 . . . . 0.0 109.68 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.19 -123.83 28.69 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -134.93 157.91 45.65 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.444 -1.033 . . . . 0.0 109.583 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -68.08 168.57 11.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.405 -0.809 . . . . 0.0 109.065 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.0 t60 69.59 32.84 3.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 0.0 109.522 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -167.38 95.75 0.47 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.397 -0.815 . . . . 0.0 109.043 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.6 mm? -96.05 119.0 33.76 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.127 -0.983 . . . . 0.0 109.761 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -92.38 166.1 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.566 -0.709 . . . . 0.0 109.29 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.76 -39.86 82.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 109.721 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -64.09 -39.33 93.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.056 -1.028 . . . . 0.0 108.506 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.06 -34.37 73.12 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.803 -0.56 . . . . 0.0 109.742 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.04 -40.56 75.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.302 -0.874 . . . . 0.0 109.442 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.08 -40.06 88.25 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.842 0.83 . . . . 0.0 108.925 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.24 -46.09 90.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.746 -0.596 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.562 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.8 tt -59.98 -47.58 85.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.988 -1.07 . . . . 0.0 109.3 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -48.0 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.097 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -71.58 -20.07 62.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 111.056 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -57.47 -59.84 4.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.901 -1.124 . . . . 0.0 111.564 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -142.4 -10.21 0.84 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.725 -1.234 . . . . 0.0 111.1 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.81 130.53 35.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.682 -1.261 . . . . 0.0 108.797 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -163.58 -34.8 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.393 -0.817 . . . . 0.0 109.119 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.97 -18.03 62.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.07 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.424 ' C ' HD22 ' A' ' 44' ' ' LEU . 96.8 m-85 -103.29 -16.99 15.5 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.149 -0.97 . . . . 0.0 109.723 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.6 mm? -104.06 150.9 23.86 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 109.298 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -84.92 -76.5 0.31 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.356 -0.84 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -164.55 106.25 0.86 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.8 mt -99.35 104.21 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.078 -1.014 . . . . 0.0 109.092 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -112.73 -22.73 10.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.608 -0.683 . . . . 0.0 109.895 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -112.01 137.52 49.91 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.454 -0.779 . . . . 0.0 109.993 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -61.88 -30.11 70.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.324 -0.86 . . . . 0.0 109.595 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.36 -31.82 62.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.868 . . . . 0.0 109.585 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.88 -34.99 62.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 108.809 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.29 -42.22 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.633 -0.667 . . . . 0.0 109.458 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.23 88.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 0.0 109.844 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.75 -43.66 97.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 109.067 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.76 -40.07 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.578 -0.701 . . . . 0.0 109.503 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -41.68 95.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.724 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.15 -41.15 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.038 -1.038 . . . . 0.0 109.367 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 m -69.43 -40.48 77.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 110.023 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 76' ' ' PHE . 7.3 mp -73.03 -42.1 63.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.378 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 28.1 t0 -66.52 97.57 0.44 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 110.563 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -47.61 85.51 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.579 -0.7 . . . . 0.0 109.943 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.1 p-10 -92.45 -3.67 54.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.207 -0.933 . . . . 0.0 111.393 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.18 70.13 Favored Glycine 0 N--CA 1.496 2.684 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.436 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.546 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 33.6 p-10 -71.08 -6.96 43.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.796 -1.414 . . . . 0.0 110.432 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.15 -5.58 79.41 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 120.862 -1.149 . . . . 0.0 110.877 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -137.01 161.32 36.38 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -1.171 . . . . 0.0 108.117 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.75 106.61 17.17 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.87 -1.144 . . . . 0.0 108.916 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.33 174.75 3.76 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.878 0.846 . . . . 0.0 110.864 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.92 -50.83 72.21 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.354 0.597 . . . . 0.0 109.545 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -60.03 -53.55 56.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.41 -0.806 . . . . 0.0 109.2 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -59.97 -48.1 83.1 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -44.83 -39.84 5.66 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mtp -71.13 -22.12 62.11 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.383 -0.823 . . . . 0.0 109.909 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.45 -59.14 5.39 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.66 -1.275 . . . . 0.0 108.677 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.422 ' CD1' HD21 ' A' ' 60' ' ' LEU . 89.0 t80 -51.51 -39.86 58.47 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.15 -45.79 95.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -66.47 -44.83 81.66 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.311 -0.868 . . . . 0.0 110.207 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.1 ttt -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.199 -0.938 . . . . 0.0 109.611 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.41 -33.37 62.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -70.11 -41.2 74.32 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -64.59 -56.03 16.58 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' A' ' 85' ' ' HIS . . . -43.32 -37.82 2.4 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 0.0 109.654 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.7 t -78.64 40.31 0.37 Allowed 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.449 ' H ' ' C ' ' A' ' 83' ' ' ALA . 64.3 t60 -60.09 -39.99 88.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.774 -0.579 . . . . 0.0 110.138 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -49.78 132.91 22.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.15 -0.969 . . . . 0.0 109.469 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -73.98 130.85 40.67 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.416 -0.803 . . . . 0.0 109.619 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -59.91 134.45 57.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.359 -0.838 . . . . 0.0 109.405 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.23 -39.89 88.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.315 -0.866 . . . . 0.0 109.525 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 52.47 19.46 1.18 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.33 -0.856 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.618 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.01 -29.8 68.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.364 -0.835 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.96 -34.0 72.83 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.678 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.41 -45.16 94.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.031 -1.043 . . . . 0.0 110.011 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -59.87 -40.13 87.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.17 -0.956 . . . . 0.0 110.027 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.976 . . . . 0.0 108.869 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 73.8 mtp -62.24 -49.89 73.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.575 -0.703 . . . . 0.0 109.22 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -40.05 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.615 -0.678 . . . . 0.0 110.162 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.09 72.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.941 -1.099 . . . . 0.0 109.488 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.57 -46.04 91.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.069 -1.019 . . . . 0.0 110.187 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.01 -51.16 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.889 -1.132 . . . . 0.0 109.727 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -60.02 -41.36 92.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 108.657 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.09 -43.35 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -63.42 -56.6 14.88 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.987 -1.071 . . . . 0.0 110.096 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -59.84 -43.23 94.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.12 . . . . 0.0 111.406 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -70.02 -40.36 75.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.307 -1.496 . . . . 0.0 109.531 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 65.1 t80 -72.68 -40.03 66.59 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.542 0.686 . . . . 0.0 109.721 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.1 m -77.45 -19.67 55.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.441 -0.787 . . . . 0.0 110.333 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.09 19.62 37.68 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -82.62 -45.36 14.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.764 -1.433 . . . . 0.0 109.78 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -127.58 141.95 51.5 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.526 -0.734 . . . . 0.0 109.741 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.41 -123.82 28.27 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -135.28 157.88 45.78 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.482 -1.011 . . . . 0.0 109.479 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -68.02 168.64 11.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.083 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.4 t60 69.72 32.86 3.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.555 -0.716 . . . . 0.0 109.316 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -167.41 95.87 0.47 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 109.183 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.499 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.6 mm? -96.35 119.0 34.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -92.36 166.02 12.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.612 -0.68 . . . . 0.0 109.259 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.52 -40.1 81.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.775 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 95.7 p -63.82 -39.58 94.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.056 . . . . 0.0 108.582 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.92 -34.4 73.43 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.218 0.533 . . . . 0.0 109.738 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.96 -40.76 75.21 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.281 -0.887 . . . . 0.0 109.534 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 108.932 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -60.06 -46.12 90.62 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.842 -0.536 . . . . 0.0 109.753 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.553 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 8.5 tt -59.96 -47.6 85.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.089 -1.007 . . . . 0.0 109.414 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -47.92 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.3 -0.875 . . . . 0.0 110.01 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.81 -20.01 61.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -57.71 -59.61 4.95 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.901 -1.125 . . . . 0.0 111.478 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -142.52 -10.19 0.83 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.737 -1.227 . . . . 0.0 111.082 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.71 130.29 35.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.678 -1.264 . . . . 0.0 108.846 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.1 t -163.08 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.519 -0.738 . . . . 0.0 109.187 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.76 -18.08 62.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.51 -0.744 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.426 ' C ' HD22 ' B' ' 44' ' ' LEU . 96.7 m-85 -103.28 -17.06 15.48 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.096 -1.002 . . . . 0.0 109.695 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' B' ' 44' ' ' LEU . 3.4 mm? -104.2 150.66 24.18 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.505 -0.747 . . . . 0.0 109.384 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.39 -76.65 0.3 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.326 -0.858 . . . . 0.0 108.869 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -164.7 106.45 0.85 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 109.323 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 96.4 mt -99.49 104.59 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.144 -0.973 . . . . 0.0 109.137 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -113.1 -22.56 10.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.533 -0.729 . . . . 0.0 109.897 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -111.95 137.55 49.79 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.448 -0.782 . . . . 0.0 110.017 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -62.14 -29.99 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 109.602 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.31 -31.87 61.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.371 -0.831 . . . . 0.0 109.525 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.97 -35.04 62.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 108.774 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.4 -41.83 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 109.508 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.06 -40.11 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.81 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -60.67 -43.86 97.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.76 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.581 -0.699 . . . . 0.0 109.565 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.6 -41.61 95.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.147 -0.97 . . . . 0.0 110.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.032 -1.042 . . . . 0.0 109.334 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 74.1 m -69.48 -40.42 77.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.28 -0.887 . . . . 0.0 110.049 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.409 HD21 ' CD1' ' B' ' 76' ' ' PHE . 8.1 mp -72.81 -42.88 63.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -0.88 . . . . 0.0 110.235 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 26.6 t0 -65.76 97.96 0.36 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.901 -1.124 . . . . 0.0 110.705 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.48 -48.18 82.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.577 -0.702 . . . . 0.0 109.91 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.9 p-10 -91.99 -3.96 55.18 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.222 -0.923 . . . . 0.0 111.397 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.72 29.11 69.85 Favored Glycine 0 N--CA 1.497 2.757 0 C-N-CA 119.511 -1.328 . . . . 0.0 110.459 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.2 p-10 -70.98 -7.01 43.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.938 -1.331 . . . . 0.0 110.503 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.08 -5.24 80.64 Favored Glycine 0 N--CA 1.497 2.736 0 O-C-N 120.88 -1.137 . . . . 0.0 110.805 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -137.11 161.01 37.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.258 -1.142 . . . . 0.0 108.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 67.8 m -103.57 106.78 17.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.947 -1.096 . . . . 0.0 108.843 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -68.6 175.05 3.7 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.875 0.845 . . . . 0.0 110.829 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.02 -50.65 72.91 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.351 0.596 . . . . 0.0 109.539 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -53.66 55.17 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.308 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.8 mt-10 -60.03 -48.15 82.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.963 -1.086 . . . . 0.0 108.382 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -44.94 -39.24 5.31 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.5 mtp -71.58 -22.06 61.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.16 -59.7 4.66 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.736 -1.228 . . . . 0.0 108.657 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.409 ' CD1' HD21 ' B' ' 60' ' ' LEU . 88.9 t80 -51.2 -39.92 57.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.12 -45.79 95.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -66.43 -44.81 81.85 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.98 -42.43 94.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.288 -0.882 . . . . 0.0 109.54 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.59 -33.16 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -69.98 -41.29 74.62 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 8.7 m -64.77 -55.84 17.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.452 ' C ' ' H ' ' B' ' 85' ' ' HIS . . . -43.29 -37.91 2.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.639 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 t -78.3 40.05 0.34 Allowed 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.452 ' H ' ' C ' ' B' ' 83' ' ' ALA . 68.2 t60 -59.99 -39.91 87.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.763 -0.586 . . . . 0.0 110.146 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -49.92 133.05 22.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.119 -0.988 . . . . 0.0 109.552 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -74.02 130.78 40.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.387 -0.82 . . . . 0.0 109.589 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -59.89 134.36 56.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.289 -0.882 . . . . 0.0 109.366 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.19 -39.93 88.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.408 -0.808 . . . . 0.0 109.54 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 52.48 19.93 1.32 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.323 -0.861 . . . . 0.0 109.208 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.663 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -66.75 -30.5 70.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 110.041 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.09 -37.23 75.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.117 -0.989 . . . . 0.0 110.053 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.1 -41.35 97.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 109.89 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.1 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.813 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.96 71.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 0.0 109.488 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -59.93 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.326 -0.859 . . . . 0.0 109.429 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.03 -40.02 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 109.282 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.132 -0.98 . . . . 0.0 109.849 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.15 -44.19 95.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.137 -0.977 . . . . 0.0 111.16 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.09 -49.55 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.806 -1.183 . . . . 0.0 109.204 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.02 -39.9 87.46 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.91 -44.77 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.816 . . . . 0.0 110.141 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -60.33 -55.04 38.43 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.897 -1.127 . . . . 0.0 110.649 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.29 -39.99 84.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 111.178 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.78 -40.15 79.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.282 -1.511 . . . . 0.0 110.046 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -73.9 -44.0 56.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.248 -0.908 . . . . 0.0 110.383 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -69.67 -18.82 63.59 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.906 -1.122 . . . . 0.0 109.67 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.07 22.53 14.39 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -86.44 -60.36 2.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.228 -1.16 . . . . 0.0 109.366 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -139.64 160.89 38.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.398 -0.814 . . . . 0.0 109.738 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.77 170.89 38.82 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 7.1 t70 -49.94 -95.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.268 -1.136 . . . . 0.0 109.448 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 33.1 ttmt -165.95 123.97 1.5 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 109.767 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.1 t-80 79.32 1.12 2.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.783 -0.573 . . . . 0.0 110.139 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -108.19 125.43 51.62 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -95.62 119.2 33.71 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.887 -1.133 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -94.42 165.1 12.73 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.92 77.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.912 -1.117 . . . . 0.0 110.029 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.7 p -60.07 -39.9 87.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.987 -1.071 . . . . 0.0 108.958 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.28 -39.91 78.09 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.15 -43.93 98.12 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.24 -40.57 94.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.511 -0.743 . . . . 0.0 109.679 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.58 -44.68 81.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.135 -0.978 . . . . 0.0 110.212 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.507 HD11 ' OE1' ' A' ' 39' ' ' GLU . 59.0 tp -59.91 -49.04 79.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 0.0 109.965 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 89.8 mt -60.38 -43.54 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.935 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.064 -1.023 . . . . 0.0 111.312 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.32 -13.54 52.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.969 -1.082 . . . . 0.0 112.637 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.507 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.8 mt-10 -128.09 -89.96 0.52 Allowed 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.92 -1.113 . . . . 0.0 112.253 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 85.9 mt -75.16 129.29 37.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.077 -1.015 . . . . 0.0 111.059 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -150.04 -40.3 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -75.85 -18.6 59.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' C ' HD22 ' A' ' 44' ' ' LEU . 97.5 m-85 -99.25 -11.93 20.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.253 -0.905 . . . . 0.0 109.965 -178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.487 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.8 mm? -107.44 -108.94 0.31 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -176.9 143.58 0.43 Allowed 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -65.36 127.51 32.05 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.778 -1.201 . . . . 0.0 108.018 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -108.47 129.99 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.277 -0.889 . . . . 0.0 109.939 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -106.87 -26.2 11.34 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.633 -0.667 . . . . 0.0 109.521 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -110.59 132.96 53.74 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.444 -0.785 . . . . 0.0 110.397 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.3 tt0 -64.65 -38.89 92.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.791 . . . . 0.0 109.356 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -45.39 -33.18 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.426 -0.797 . . . . 0.0 109.693 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.69 -32.41 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 108.747 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' GLN . 66.7 t -69.95 -42.72 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.623 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.03 -40.21 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.245 -0.909 . . . . 0.0 110.743 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -60.35 -45.3 93.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.031 -1.043 . . . . 0.0 108.624 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.65 -39.89 82.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-O 121.221 0.534 . . . . 0.0 110.145 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mtp -67.48 -39.89 85.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.234 -0.916 . . . . 0.0 110.76 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.53 -43.69 84.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.033 -1.042 . . . . 0.0 108.974 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.0 -39.99 75.54 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.03 75.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.707 -0.62 . . . . 0.0 109.789 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.26 105.73 1.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.198 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 74.4 mm-40 -61.34 -39.96 92.49 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.443 -0.786 . . . . 0.0 109.465 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.83 -9.3 31.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.188 -0.945 . . . . 0.0 111.1 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 29.44 73.24 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.412 -1.375 . . . . 0.0 109.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -70.24 -3.94 19.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.06 -1.259 . . . . 0.0 109.546 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.37 52.37 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.4 mp0 -130.24 164.88 23.58 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.056 -1.261 . . . . 0.0 108.686 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.7 t -100.22 109.0 21.23 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.265 -0.897 . . . . 0.0 109.657 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.5 t0 -70.97 175.41 5.16 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.809 0.814 . . . . 0.0 110.583 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 44.2 t80 -62.97 -50.22 71.65 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.29 0.567 . . . . 0.0 110.678 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -60.13 -53.84 52.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.8 mt-10 -59.96 -44.17 94.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.809 -1.182 . . . . 0.0 107.84 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -49.19 -39.95 31.39 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.68 -30.05 71.2 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -65.49 -51.53 59.39 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.58 -39.97 62.12 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -42.64 90.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 81' ' ' THR . 42.1 p -70.58 -46.31 63.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.442 -0.786 . . . . 0.0 110.157 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 25.4 ttt -51.81 -40.06 59.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.097 -1.002 . . . . 0.0 108.994 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.47 -27.63 39.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' SER . 24.2 m -79.96 -49.16 12.26 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.1 p -70.1 -14.32 62.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.533 -0.729 . . . . 0.0 109.368 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . -71.27 -45.42 63.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.335 -0.853 . . . . 0.0 109.341 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 87.3 m -79.21 151.53 31.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.0 109.125 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -69.93 150.07 47.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.371 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' OE1' ' CE1' ' B' ' 25' ' ' HIS . 86.3 tt0 -59.98 -40.2 88.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.221 -0.925 . . . . 0.0 109.452 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -87.0 130.64 34.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.346 -0.846 . . . . 0.0 109.412 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 63.4 t80 -140.02 -15.9 0.99 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.207 -0.933 . . . . 0.0 109.398 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -100.04 121.54 41.54 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.285 -0.884 . . . . 0.0 109.705 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -66.98 -40.07 87.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.955 . . . . 0.0 109.179 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.44 179.758 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.272 0.558 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.5 -30.12 69.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.112 -0.992 . . . . 0.0 110.025 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.3 tp -70.15 -37.31 75.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.989 . . . . 0.0 110.03 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.0 -41.6 97.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.96 -40.05 87.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.928 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -50.8 72.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.0 109.407 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.07 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.425 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.03 -39.93 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.589 -0.694 . . . . 0.0 109.407 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.02 91.0 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.22 -0.925 . . . . 0.0 109.796 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.04 -44.29 94.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.139 -0.976 . . . . 0.0 111.188 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.781 -1.199 . . . . 0.0 109.244 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.78 -39.98 86.71 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.99 -44.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.11 -55.24 36.3 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.863 -1.148 . . . . 0.0 110.659 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.21 -40.08 84.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 111.376 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.7 -39.91 80.28 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.277 -1.514 . . . . 0.0 110.172 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.22 -43.93 55.16 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.255 -0.903 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.9 t -69.63 -18.76 63.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.887 -1.133 . . . . 0.0 109.735 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.19 22.34 15.85 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.29 -60.15 2.08 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -1.208 . . . . 0.0 109.419 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.79 160.78 39.12 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.392 -0.818 . . . . 0.0 109.69 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 93.98 170.76 38.46 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 7.0 t70 -50.0 -95.06 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.183 -1.187 . . . . 0.0 109.408 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.503 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 33.1 ttmt -165.99 123.99 1.49 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 8.4 t60 79.31 1.22 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.699 -0.625 . . . . 0.0 110.15 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -108.25 125.11 51.3 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.28 119.06 33.14 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.824 -1.172 . . . . 0.0 110.489 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -94.31 165.2 12.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.749 -0.594 . . . . 0.0 109.402 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.99 77.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.983 -1.073 . . . . 0.0 110.018 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -60.08 -39.69 86.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.074 -1.016 . . . . 0.0 109.06 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.59 -39.88 77.03 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.92 -44.08 97.71 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.21 -40.42 93.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.424 -0.797 . . . . 0.0 109.761 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.63 -44.66 81.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -0.96 . . . . 0.0 110.289 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.502 HD11 ' OE1' ' B' ' 39' ' ' GLU . 59.0 tp -59.99 -49.09 79.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.323 -0.861 . . . . 0.0 109.821 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 89.3 mt -60.05 -43.84 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.141 -0.974 . . . . 0.0 110.09 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.23 -39.99 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.117 -0.989 . . . . 0.0 111.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.14 -13.65 52.33 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.874 -1.141 . . . . 0.0 112.57 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.502 ' OE1' HD11 ' B' ' 35' ' ' LEU . 98.8 mt-10 -128.0 -89.99 0.52 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.855 -1.153 . . . . 0.0 112.332 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 85.6 mt -75.24 129.01 36.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.079 -1.013 . . . . 0.0 111.044 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -149.96 -40.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -75.95 -18.45 59.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.487 -0.758 . . . . 0.0 109.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.489 ' C ' HD22 ' B' ' 44' ' ' LEU . 97.5 m-85 -99.29 -12.07 20.69 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.291 -0.881 . . . . 0.0 109.969 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.489 HD22 ' C ' ' B' ' 43' ' ' PHE . 3.8 mm? -107.33 -108.8 0.31 Allowed 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -177.03 143.4 0.4 Allowed 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.21 127.57 32.25 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.839 -1.163 . . . . 0.0 108.106 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.48 130.03 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.341 -0.849 . . . . 0.0 109.905 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -107.03 -26.1 11.3 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.582 -0.699 . . . . 0.0 109.401 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.79 132.71 53.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.512 -0.743 . . . . 0.0 110.495 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.2 tt0 -64.27 -39.27 93.6 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.692 0.758 . . . . 0.0 109.282 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -45.21 -33.12 2.16 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.656 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -69.81 -32.22 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 69.2 t -70.0 -42.67 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.57 -0.706 . . . . 0.0 109.589 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.1 -40.14 92.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.265 -0.897 . . . . 0.0 110.855 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.38 -45.41 93.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.157 -0.965 . . . . 0.0 108.643 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.49 -39.96 82.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.225 0.536 . . . . 0.0 110.037 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 94.9 mtp -67.52 -40.01 85.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.154 -0.966 . . . . 0.0 110.698 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.37 -43.74 85.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.954 -1.091 . . . . 0.0 109.088 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.22 -39.9 74.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.08 75.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.6 -0.688 . . . . 0.0 109.674 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.1 105.67 1.75 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.121 -0.987 . . . . 0.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -61.17 -40.02 92.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.423 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.72 -9.51 31.67 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.23 -0.919 . . . . 0.0 111.13 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.32 73.11 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -4.18 19.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.072 -1.252 . . . . 0.0 109.344 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.63 -17.8 50.34 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 55.2 mp0 -129.79 164.54 23.83 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.023 -1.28 . . . . 0.0 108.639 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 t -99.84 109.11 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.1 t0 -71.01 175.48 5.13 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.835 0.826 . . . . 0.0 110.65 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 43.6 t80 -62.95 -50.16 71.91 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.231 0.539 . . . . 0.0 110.627 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -54.06 50.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.079 -1.013 . . . . 0.0 109.551 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.8 mt-10 -59.99 -44.32 94.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.756 -1.215 . . . . 0.0 107.77 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -49.01 -40.03 29.25 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.57 -30.15 71.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.37 -51.51 59.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.68 -40.03 62.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -42.84 90.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 81' ' ' THR . 41.9 p -70.57 -46.25 63.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.137 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 25.3 ttt -51.84 -40.0 59.79 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.13 -0.981 . . . . 0.0 108.999 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -27.63 39.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' B' ' 78' ' ' SER . 23.8 m -79.9 -49.43 11.92 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.4 p -70.0 -14.18 62.58 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.566 -0.709 . . . . 0.0 109.393 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . -71.33 -45.7 62.37 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 109.343 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 86.0 m -78.74 151.57 32.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.162 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -70.13 150.14 46.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.037 -1.039 . . . . 0.0 109.281 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -40.11 88.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.238 -0.913 . . . . 0.0 109.451 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -87.15 130.54 34.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.85 . . . . 0.0 109.439 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 63.2 t80 -139.96 -15.75 1.0 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.284 -0.885 . . . . 0.0 109.408 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -100.0 121.44 41.36 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.345 -0.847 . . . . 0.0 109.773 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -66.82 -40.02 87.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.241 -0.912 . . . . 0.0 109.176 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.491 179.805 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.399 0.618 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 56.2 mp0 -59.93 -33.21 71.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.522 -0.736 . . . . 0.0 109.829 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.38 -34.24 75.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.94 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.3 -41.04 96.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.033 -1.042 . . . . 0.0 109.249 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.07 -39.57 86.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 0.0 109.926 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.14 94.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.105 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.4 -48.17 68.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.174 -0.954 . . . . 0.0 109.064 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -40.51 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.597 -0.689 . . . . 0.0 110.642 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.854 -1.154 . . . . 0.0 110.159 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.98 -41.14 91.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.684 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.0 -50.26 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.684 -1.26 . . . . 0.0 109.353 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.56 -39.98 89.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 0.0 109.459 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.67 -49.24 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.445 -0.785 . . . . 0.0 109.571 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.0 -53.25 60.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.246 -0.909 . . . . 0.0 109.393 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -59.99 -40.58 89.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 112.117 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -70.8 -40.2 72.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.002 -1.686 . . . . 0.0 110.471 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -77.51 -48.42 17.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.377 -0.827 . . . . 0.0 110.583 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.6 t -78.33 -19.9 52.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.949 -1.094 . . . . 0.0 110.146 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.36 11.01 72.56 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -83.03 -40.63 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.241 . . . . 0.0 108.658 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -148.12 150.98 34.83 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.14 -169.26 49.65 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.053 -1.07 . . . . 0.0 110.529 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -95.36 141.17 29.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.475 -1.015 . . . . 0.0 110.033 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 30.3 ttmt -62.15 138.75 58.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.538 -0.726 . . . . 0.0 109.94 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 1.6 t-160 79.2 27.66 0.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.608 0.718 . . . . 0.0 109.318 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -153.4 100.6 2.45 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.1 mp -99.82 124.39 45.06 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.346 -0.846 . . . . 0.0 109.928 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -93.03 165.82 12.66 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -58.4 -39.98 81.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.033 -1.042 . . . . 0.0 109.417 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -62.76 -40.42 97.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.891 -1.131 . . . . 0.0 108.799 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.09 -32.9 71.19 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.502 0.668 . . . . 0.0 109.311 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -69.03 -40.09 78.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.482 -0.761 . . . . 0.0 109.307 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.2 -40.03 90.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.427 -0.796 . . . . 0.0 110.73 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.01 -43.67 95.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.008 -1.057 . . . . 0.0 109.95 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 39' ' ' GLU . 61.9 tp -59.94 -47.75 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.317 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' GLU . 96.7 mt -61.62 -42.36 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.19 -40.41 95.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.872 -1.143 . . . . 0.0 108.855 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.52 -49.9 10.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.492 ' OE1' HD11 ' A' ' 35' ' ' LEU . 99.0 mt-10 -112.16 170.24 8.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.665 0.745 . . . . 0.0 110.567 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt 54.71 24.87 5.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.795 -0.566 . . . . 0.0 110.739 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 109.257 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -70.04 -19.63 63.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 110.622 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -98.68 -17.44 18.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.092 -1.005 . . . . 0.0 109.972 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.47 109.77 4.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -122.79 -23.71 5.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.477 -0.764 . . . . 0.0 109.981 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 9.3 pt-20 -71.05 -113.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.102 . . . . 0.0 109.798 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mt 47.91 69.63 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.003 -1.061 . . . . 0.0 109.118 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -90.08 -19.87 23.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -119.13 138.84 52.64 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.208 -0.933 . . . . 0.0 110.246 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -62.53 -38.72 91.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.168 -0.958 . . . . 0.0 108.634 178.692 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -47.91 -33.62 7.87 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.01 -34.35 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 108.766 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLN . 67.1 t -67.19 -47.32 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.423 -0.798 . . . . 0.0 109.467 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.85 -41.43 95.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.23 -0.918 . . . . 0.0 109.839 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.04 -47.51 86.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.293 -0.879 . . . . 0.0 108.926 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.561 -0.712 . . . . 0.0 109.505 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.4 ttm -60.0 -44.13 94.75 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.176 -0.952 . . . . 0.0 109.963 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -42.38 94.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.122 -0.986 . . . . 0.0 109.521 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -65.08 -39.95 93.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.327 -0.858 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.7 -40.05 76.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.58 -0.7 . . . . 0.0 110.283 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.9 114.58 4.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.111 -0.993 . . . . 0.0 110.705 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -59.95 -43.17 95.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.741 -0.599 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -94.95 -4.98 45.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.052 -1.03 . . . . 0.0 110.646 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.42 33.23 68.03 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 119.764 -1.208 . . . . 0.0 110.279 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -77.36 2.05 17.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.126 -1.22 . . . . 0.0 109.797 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.37 11.4 71.61 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.52 160.06 40.84 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.01 104.84 13.79 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.827 -1.171 . . . . 0.0 109.862 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.49 174.47 4.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.897 0.856 . . . . 0.0 110.723 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.02 -49.9 75.85 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.527 0.679 . . . . 0.0 109.212 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.08 -54.51 45.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.431 -0.793 . . . . 0.0 109.674 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -59.94 -46.13 90.39 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -47.84 -37.99 15.07 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 tpt -66.97 -30.13 70.17 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.56 -53.52 50.46 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.8 -40.15 69.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.29 -45.98 95.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -64.8 -42.49 94.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.364 -0.835 . . . . 0.0 109.929 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.4 tpp -55.28 -39.95 70.44 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.215 -0.928 . . . . 0.0 108.713 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.0 -33.33 54.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.21 -0.931 . . . . 0.0 108.558 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.67 -45.89 90.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 0.0 109.299 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.1 p -67.77 -52.23 39.68 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.118 -0.988 . . . . 0.0 108.779 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.63 -40.13 18.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.236 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.09 137.83 57.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.317 -0.864 . . . . 0.0 108.924 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -60.2 133.59 56.24 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 109.621 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.24 -40.07 92.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.374 -0.829 . . . . 0.0 109.795 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -82.63 144.62 30.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.18 -0.95 . . . . 0.0 109.212 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.422 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 61.8 t80 -83.85 -15.64 47.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 108.819 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' PHE . 25.5 tp10 40.04 -130.01 0.34 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.831 -0.543 . . . . 0.0 110.251 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.505 ' C ' ' HD1' ' A' ' 90' ' ' HIS . 1.9 p80 -148.85 164.56 34.1 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.164 -0.96 . . . . 0.0 109.672 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.286 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 55.3 mp0 -60.03 -33.06 71.51 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.558 -0.714 . . . . 0.0 109.835 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.56 -34.14 75.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 110.014 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -61.29 -41.13 96.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.05 . . . . 0.0 109.227 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -59.99 -39.44 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.95 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.33 94.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.145 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.2 -48.42 67.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.281 -0.887 . . . . 0.0 109.052 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.57 -40.57 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.534 -0.729 . . . . 0.0 110.699 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.76 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.749 -1.219 . . . . 0.0 110.344 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.06 -41.24 91.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.162 -0.961 . . . . 0.0 110.693 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.97 -50.17 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.705 -1.247 . . . . 0.0 109.358 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.54 -40.13 90.41 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.361 -0.837 . . . . 0.0 109.395 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.62 -49.25 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.422 -0.799 . . . . 0.0 109.479 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.01 -53.29 59.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.276 -0.89 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.98 -40.36 88.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.139 -0.975 . . . . 0.0 112.152 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.01 -40.27 71.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 119.997 -1.69 . . . . 0.0 110.367 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -77.29 -48.49 17.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.813 . . . . 0.0 110.676 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -78.71 -19.57 52.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.911 -1.118 . . . . 0.0 109.99 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.4 10.97 72.75 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -82.95 -40.64 19.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 108.681 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -148.11 151.2 35.22 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -169.41 49.28 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.444 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.68 141.11 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.503 -0.998 . . . . 0.0 109.924 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 31.3 ttmt -62.03 138.68 58.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.483 -0.761 . . . . 0.0 109.869 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 1.6 t-160 79.33 27.53 0.38 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.606 0.717 . . . . 0.0 109.183 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -153.06 100.63 2.5 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.446 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.9 mp -99.78 124.26 44.88 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.301 -0.874 . . . . 0.0 110.02 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -92.86 165.51 12.87 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -58.25 -40.03 80.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.084 -1.01 . . . . 0.0 109.347 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 t -62.82 -40.29 96.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.881 -1.137 . . . . 0.0 108.932 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.18 -32.48 70.44 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.468 0.652 . . . . 0.0 109.332 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.33 -40.17 77.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.451 -0.781 . . . . 0.0 109.241 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.22 -39.91 89.92 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.323 -0.861 . . . . 0.0 110.652 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.01 -43.85 94.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.963 -1.086 . . . . 0.0 109.788 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.491 HD11 ' OE1' ' B' ' 39' ' ' GLU . 61.6 tp -59.97 -47.61 85.11 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.188 -0.945 . . . . 0.0 109.18 -178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.9 mt -61.82 -42.25 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.167 -0.958 . . . . 0.0 109.934 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.42 -40.31 96.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.737 -1.227 . . . . 0.0 108.757 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -80.3 -49.91 10.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.752 -0.592 . . . . 0.0 110.625 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.491 ' OE1' HD11 ' B' ' 35' ' ' LEU . 99.2 mt-10 -112.28 170.0 8.47 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.591 0.71 . . . . 0.0 110.513 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.4 mt 55.05 24.78 6.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.841 -0.537 . . . . 0.0 110.697 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.8 m -59.96 -39.98 87.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.063 -1.023 . . . . 0.0 109.208 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.01 -19.79 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.483 -0.761 . . . . 0.0 110.744 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.5 -18.08 18.38 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.111 -0.993 . . . . 0.0 109.991 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.77 109.86 4.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.153 -0.967 . . . . 0.0 108.745 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -122.67 -24.09 4.97 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.472 -0.768 . . . . 0.0 110.025 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' B' ' 46' ' ' GLU . 9.4 pt-20 -70.94 -113.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 109.828 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mt 48.02 69.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.119 -0.988 . . . . 0.0 109.061 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.1 -19.85 23.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.219 -0.925 . . . . 0.0 109.881 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -119.05 139.16 52.2 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.289 -0.882 . . . . 0.0 110.227 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.53 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 0.9 OUTLIER -62.92 -38.57 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.1 -1.0 . . . . 0.0 108.542 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -48.2 -33.33 8.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.07 -34.81 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 50' ' ' GLN . 68.4 t -66.76 -47.2 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -0.806 . . . . 0.0 109.671 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.29 -41.11 96.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.154 -0.967 . . . . 0.0 109.827 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -61.29 -47.28 86.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.192 -0.942 . . . . 0.0 108.994 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.61 -40.13 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.401 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttm -60.0 -44.08 94.77 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.117 -0.989 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -42.55 94.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 109.434 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -64.9 -40.01 94.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 109.904 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.8 -40.05 76.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.277 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.85 114.73 4.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -60.04 -43.1 95.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.852 -0.53 . . . . 0.0 109.928 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -95.03 -4.94 45.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.051 -1.031 . . . . 0.0 110.595 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 33.54 69.4 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.267 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -77.41 1.95 17.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.124 -1.221 . . . . 0.0 109.767 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.74 11.23 73.08 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.81 160.08 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.1 t -109.7 104.88 13.94 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.889 -1.132 . . . . 0.0 109.898 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.6 174.84 4.6 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.877 0.846 . . . . 0.0 110.691 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.612 0.72 . . . . 0.0 109.244 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.97 -54.53 45.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 0.0 109.603 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -60.02 -46.37 89.73 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -47.66 -38.15 14.33 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.93 -30.0 70.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.15 -53.12 54.51 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -54.79 -40.23 69.25 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -46.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.9 p -64.56 -42.39 95.7 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.909 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.9 tpp -55.52 -40.02 71.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.108 -0.995 . . . . 0.0 108.684 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.78 -33.23 55.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.83 -46.0 89.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.825 . . . . 0.0 109.022 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.3 p -67.63 -52.33 39.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.104 -0.998 . . . . 0.0 108.758 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.52 -40.11 17.88 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.258 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t -59.6 137.75 57.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.272 -0.892 . . . . 0.0 108.935 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -60.16 133.59 56.24 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.19 -0.944 . . . . 0.0 109.638 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.06 -40.12 92.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.185 -0.947 . . . . 0.0 109.826 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.76 144.1 30.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.165 -0.96 . . . . 0.0 109.29 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 64.4 t80 -83.24 -15.63 49.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.171 -0.956 . . . . 0.0 108.996 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 40.01 -129.99 0.34 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.771 -0.58 . . . . 0.0 110.321 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.514 ' HD1' ' C ' ' B' ' 90' ' ' HIS . 1.7 p80 -148.94 164.77 33.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.124 -0.985 . . . . 0.0 109.471 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.28 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.66 -34.97 73.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -68.61 -34.02 75.04 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.975 -1.078 . . . . 0.0 108.83 179.28 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.62 -43.16 97.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.2 -0.937 . . . . 0.0 109.556 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.99 -40.15 88.19 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 110.042 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.24 78.39 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.595 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.25 -50.01 75.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.239 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.99 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.504 -0.748 . . . . 0.0 110.253 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.97 -41.29 91.66 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.769 -1.207 . . . . 0.0 109.642 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.01 -46.41 89.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 110.159 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -53.56 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.941 -1.1 . . . . 0.0 109.762 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.524 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.34 -41.49 93.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.002 . . . . 0.0 109.473 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG11 HD23 ' B' ' 3' ' ' LEU . 76.0 t -69.95 -43.87 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.283 -0.885 . . . . 0.0 109.941 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.74 -53.68 52.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.987 -1.071 . . . . 0.0 110.304 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 19' ' ' GLY . 86.2 t60 -59.79 -47.69 84.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.91 -1.119 . . . . 0.0 111.634 -177.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -61.02 -40.34 93.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 119.988 -1.695 . . . . 0.0 109.791 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -71.8 -47.03 56.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.082 -1.011 . . . . 0.0 109.235 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -73.53 -19.39 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.077 -1.015 . . . . 0.0 109.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -84.46 17.8 27.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -85.53 -52.39 5.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.969 -1.312 . . . . 0.0 108.746 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.04 159.97 21.07 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.88 -35.49 12.67 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 2.3 p30 -60.28 136.54 58.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.913 -1.346 . . . . 0.0 109.402 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.36 -70.14 0.56 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.088 -1.008 . . . . 0.0 110.441 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -107.68 8.13 28.84 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.287 -0.883 . . . . 0.0 111.329 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -107.49 129.11 54.99 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.015 -1.053 . . . . 0.0 109.539 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 9.2 mp -99.79 130.04 45.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.277 -0.889 . . . . 0.0 109.385 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' H ' ' HB3' ' A' ' 31' ' ' GLU . 53.1 tttp -92.8 164.8 13.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.638 -0.664 . . . . 0.0 109.628 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -50.32 -51.76 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.959 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.6 m -61.41 -39.96 92.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.091 -1.005 . . . . 0.0 109.402 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 86.3 tt0 -69.5 -40.0 77.27 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.14 -48.23 82.56 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.645 -0.66 . . . . 0.0 109.885 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -59.94 -40.06 87.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.404 -0.81 . . . . 0.0 110.086 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.94 -40.98 90.78 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.869 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -57.44 -44.59 84.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.266 -0.896 . . . . 0.0 109.574 -178.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 39' ' ' GLU . 92.3 mt -70.03 -40.01 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.871 -1.143 . . . . 0.0 109.79 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' OG ' ' A' ' 41' ' ' SER . 98.5 m-20 -62.96 -41.0 99.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.768 -1.207 . . . . 0.0 109.836 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.96 -50.06 10.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.43 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' ILE . 82.2 tt0 -111.65 160.0 17.66 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.549 -0.719 . . . . 0.0 109.855 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 tp 69.93 -12.45 0.48 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.337 -0.852 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 53.9 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.977 -1.077 . . . . 0.0 109.471 179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -69.35 -9.95 55.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.508 -0.745 . . . . 0.0 110.915 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -101.16 -19.94 15.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.813 -1.179 . . . . 0.0 109.831 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD12 ' H ' ' A' ' 46' ' ' GLU . 2.1 pp -163.36 152.41 14.5 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.974 -1.079 . . . . 0.0 110.167 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 54.5 mp0 -133.05 35.64 3.51 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' H ' HD12 ' A' ' 44' ' ' LEU . 98.5 mt-10 -79.98 -9.72 59.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 110.492 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -78.11 129.23 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.847 -1.158 . . . . 0.0 109.472 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -154.87 -44.01 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 109.662 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -113.15 142.79 45.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.96 -38.98 84.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.315 -0.866 . . . . 0.0 109.567 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.05 -33.26 67.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.576 -0.703 . . . . 0.0 109.78 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -70.07 -36.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.1 -41.36 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.568 -0.707 . . . . 0.0 109.142 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.39 -40.1 93.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.139 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.1 -50.07 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -0.98 . . . . 0.0 108.915 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.29 -40.97 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.526 -0.734 . . . . 0.0 109.408 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.7 ttt -67.39 -40.08 85.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.347 -0.845 . . . . 0.0 110.531 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -47.27 86.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.968 -1.083 . . . . 0.0 108.377 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -63.05 -40.02 96.46 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.2 -48.39 81.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.568 -0.708 . . . . 0.0 109.966 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.95 100.85 0.44 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.34 -0.85 . . . . 0.0 110.587 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -40.72 90.4 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.657 -0.652 . . . . 0.0 109.277 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -88.35 -11.89 44.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.143 -0.973 . . . . 0.0 109.938 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.03 31.38 69.55 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -72.4 -4.47 30.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 111.037 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 -6.62 71.59 Favored Glycine 0 N--CA 1.497 2.705 0 O-C-N 120.675 -1.266 . . . . 0.0 110.519 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -136.68 162.83 32.08 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.261 -1.141 . . . . 0.0 108.278 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -104.07 107.39 18.26 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.87 -1.144 . . . . 0.0 109.991 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.54 176.52 5.36 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.049 0.928 . . . . 0.0 111.397 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -60.05 -49.91 75.78 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.004 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.36 -55.08 39.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.342 -0.848 . . . . 0.0 109.263 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -60.02 -44.25 94.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.859 -1.151 . . . . 0.0 108.37 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -48.76 -40.0 27.13 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.5 tpt -69.48 -30.35 68.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.6 -57.32 11.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.036 -1.04 . . . . 0.0 108.402 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -49.96 -39.68 41.46 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.95 -41.25 91.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.9 p -71.63 -49.07 43.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.236 -0.915 . . . . 0.0 109.74 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -52.13 -40.95 62.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.557 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.69 -28.52 27.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 121.077 -1.015 . . . . 0.0 108.564 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 m -69.87 -43.16 72.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -70.03 -59.01 3.17 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.4 -40.85 8.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.707 -0.621 . . . . 0.0 109.787 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.0 123.01 15.76 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.27 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -81.59 145.34 30.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.38 -0.825 . . . . 0.0 109.636 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' PHE . 99.8 mt-10 -52.51 -92.68 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.209 -0.932 . . . . 0.0 108.976 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' GLU . 42.6 m-85 41.09 43.08 1.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.487 -0.758 . . . . 0.0 110.522 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.99 -44.45 94.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.075 -1.016 . . . . 0.0 109.282 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.83 98.97 7.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.471 -0.768 . . . . 0.0 110.052 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.95 164.23 33.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.514 -0.741 . . . . 0.0 109.291 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.917 -1.039 . . . . 0.0 109.512 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.78 -34.54 73.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.108 -0.995 . . . . 0.0 109.548 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.527 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -69.03 -33.97 74.46 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.958 -1.089 . . . . 0.0 108.835 179.403 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.67 -42.99 98.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.246 -0.908 . . . . 0.0 109.458 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.06 -40.15 88.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.972 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.51 77.35 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.081 -1.012 . . . . 0.0 108.663 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.14 -50.07 75.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.885 . . . . 0.0 109.189 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.48 -0.763 . . . . 0.0 110.191 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.43 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.81 -1.181 . . . . 0.0 109.529 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.96 -46.68 88.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.988 . . . . 0.0 110.077 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.99 -53.69 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.89 -1.131 . . . . 0.0 109.691 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 95.9 m-20 -60.13 -41.66 93.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.128 -0.982 . . . . 0.0 109.522 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.411 HG11 HD23 ' A' ' 3' ' ' LEU . 60.7 t -70.0 -43.44 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -62.02 -53.68 52.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.982 -1.074 . . . . 0.0 110.328 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' B' ' 19' ' ' GLY . 86.2 t60 -59.82 -47.6 85.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.866 -1.146 . . . . 0.0 111.526 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.0 OUTLIER -61.24 -40.03 92.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.138 -1.601 . . . . 0.0 109.837 -179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -71.98 -46.93 55.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.131 -0.98 . . . . 0.0 109.142 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.7 p -73.71 -19.42 60.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.069 -1.02 . . . . 0.0 109.851 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -84.4 17.72 27.7 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -85.43 -52.29 5.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.008 -1.289 . . . . 0.0 108.782 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.05 159.97 21.06 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.95 -35.41 12.93 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' B' ' 23' ' ' ASP . 2.3 p30 -60.43 136.53 58.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.849 -1.383 . . . . 0.0 109.401 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -81.27 -70.06 0.56 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 110.439 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -107.97 8.31 28.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.324 -0.86 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -107.59 129.08 55.02 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.045 -1.034 . . . . 0.0 109.583 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.477 HD12 ' N ' ' B' ' 27' ' ' LEU . 9.2 mp -99.88 129.92 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.319 -0.863 . . . . 0.0 109.313 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.419 ' H ' ' HB3' ' B' ' 31' ' ' GLU . 53.9 tttp -92.93 164.68 13.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.533 -0.729 . . . . 0.0 109.757 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -50.25 -51.71 42.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.374 -0.828 . . . . 0.0 109.971 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.001 -1.062 . . . . 0.0 109.408 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.419 ' HB3' ' H ' ' B' ' 28' ' ' LYS . 86.0 tt0 -69.4 -40.0 77.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.421 HD23 ' SD ' ' B' ' 57' ' ' MET . 63.1 tp -61.65 -47.85 83.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.708 -0.62 . . . . 0.0 109.834 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.322 -0.861 . . . . 0.0 110.045 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.03 -41.04 91.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 108.835 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.485 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -57.29 -44.68 84.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.617 -178.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' B' ' 39' ' ' GLU . 90.8 mt -70.02 -40.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.89 -1.131 . . . . 0.0 109.862 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.415 ' O ' ' OG ' ' B' ' 41' ' ' SER . 98.6 m-20 -63.08 -40.95 99.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.778 -1.201 . . . . 0.0 109.778 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.93 -50.0 11.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.356 -0.84 . . . . 0.0 109.622 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.473 ' O ' ' O ' ' B' ' 36' ' ' ILE . 80.9 tt0 -111.77 159.94 17.79 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.494 -0.754 . . . . 0.0 109.71 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp 70.0 -12.52 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.424 -0.797 . . . . 0.0 110.562 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 39' ' ' GLU . 54.3 m -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.951 -1.093 . . . . 0.0 109.426 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -69.22 -9.88 55.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.49 -0.756 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -101.19 -20.0 15.48 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.946 -1.096 . . . . 0.0 109.767 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.517 HD12 ' H ' ' B' ' 46' ' ' GLU . 2.1 pp -163.44 152.55 14.48 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.804 -1.185 . . . . 0.0 110.223 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 54.4 mp0 -133.17 35.72 3.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.517 ' H ' HD12 ' B' ' 44' ' ' LEU . 98.5 mt-10 -79.98 -9.71 59.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.513 -0.742 . . . . 0.0 110.52 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.0 128.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.155 . . . . 0.0 109.545 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -154.87 -43.99 0.09 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.271 -0.893 . . . . 0.0 109.659 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -113.12 142.63 45.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.534 -0.729 . . . . 0.0 109.355 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -38.96 84.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.01 -33.25 66.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.578 -0.701 . . . . 0.0 109.684 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.15 -36.28 67.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.963 -1.086 . . . . 0.0 108.09 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.57 -41.43 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -64.96 -40.36 94.88 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.393 -0.817 . . . . 0.0 110.219 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.22 -49.79 74.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.156 -0.965 . . . . 0.0 108.979 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.33 -41.15 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.457 -0.777 . . . . 0.0 109.282 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.421 ' SD ' HD23 ' B' ' 32' ' ' LEU . 27.1 ttt -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.396 -0.815 . . . . 0.0 110.498 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -47.16 86.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.061 -1.024 . . . . 0.0 108.442 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -63.12 -39.96 96.21 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.566 0.698 . . . . 0.0 109.16 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.37 -47.88 84.17 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.31 100.9 0.51 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.637 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.94 -40.9 90.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.66 -0.65 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -88.35 -11.81 45.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.985 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.0 31.13 69.62 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -72.26 -4.54 30.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -1.196 . . . . 0.0 110.987 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.06 -5.91 73.93 Favored Glycine 0 N--CA 1.496 2.691 0 O-C-N 120.705 -1.247 . . . . 0.0 110.54 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -136.97 162.66 32.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -1.137 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 38.1 t -103.81 107.25 18.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.967 -1.083 . . . . 0.0 109.997 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.56 176.52 5.37 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.076 0.941 . . . . 0.0 111.491 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -59.97 -49.88 75.93 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.357 0.598 . . . . 0.0 110.059 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.64 -54.93 40.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.227 -0.921 . . . . 0.0 109.22 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.7 mt-10 -59.95 -44.17 94.58 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.81 -1.181 . . . . 0.0 108.371 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -48.79 -39.99 27.32 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.2 tpt -69.56 -30.18 67.91 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.95 -57.12 11.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.017 -1.052 . . . . 0.0 108.304 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -49.87 -39.8 40.55 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.79 -41.51 92.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.9 p -71.7 -48.95 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 0.0 109.812 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -52.21 -40.72 61.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.8 -28.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.195 -0.941 . . . . 0.0 108.591 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.1 m -69.87 -43.2 72.31 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -69.96 -59.01 3.18 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.56 -40.74 9.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.573 -0.705 . . . . 0.0 109.715 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.0 t -59.93 123.24 16.44 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.201 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -81.66 145.4 30.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.431 -0.793 . . . . 0.0 109.561 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' B' ' 87' ' ' PHE . 98.8 mt-10 -52.85 -92.4 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.14 -0.975 . . . . 0.0 109.019 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' B' ' 86' ' ' GLU . 42.9 m-85 41.2 43.09 1.87 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.515 -0.74 . . . . 0.0 110.519 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.08 -44.26 94.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.148 -0.97 . . . . 0.0 109.213 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -80.07 99.04 7.51 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.469 -0.769 . . . . 0.0 110.073 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.0 164.4 33.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.477 -0.765 . . . . 0.0 109.336 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.043 -1.036 . . . . 0.0 109.479 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.99 -37.66 80.3 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 110.207 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.02 -35.75 74.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.019 -1.05 . . . . 0.0 109.798 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.0 109.717 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -62.8 -40.1 96.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.105 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.71 89.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.141 -0.974 . . . . 0.0 109.639 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 109.125 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.25 -34.41 53.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.775 -0.578 . . . . 0.0 109.719 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.11 86.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.891 -1.131 . . . . 0.0 109.651 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.7 mp -61.58 -45.83 92.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.085 -1.01 . . . . 0.0 110.723 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.818 -1.176 . . . . 0.0 109.221 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -40.11 88.11 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -41.02 78.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.493 -0.754 . . . . 0.0 109.666 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.25 -57.36 7.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.132 -0.98 . . . . 0.0 110.26 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -59.78 -41.35 90.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.104 -0.997 . . . . 0.0 111.243 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.01 -39.97 75.53 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.293 -1.504 . . . . 0.0 108.835 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 47.2 t80 -73.32 -46.66 48.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.613 -0.68 . . . . 0.0 110.281 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -70.02 -21.08 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.89 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.62 20.71 36.76 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -82.18 -47.75 12.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.19 146.27 33.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.439 -0.788 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.74 -120.71 5.23 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -139.0 147.64 42.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.48 -1.012 . . . . 0.0 109.372 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 55.1 pttt -70.01 144.85 52.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.43 -0.794 . . . . 0.0 109.785 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 3.8 t-80 81.77 13.59 0.59 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -147.9 104.65 3.59 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.47 130.08 47.64 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.173 -0.955 . . . . 0.0 110.507 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -91.23 162.98 14.41 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -59.77 -39.97 86.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.01 -1.056 . . . . 0.0 109.346 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 32.9 t -62.08 -40.04 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 108.952 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.94 -30.76 68.22 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -68.62 -39.95 80.59 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.9 -41.9 98.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.522 -0.736 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mp0 -60.46 -44.34 95.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.044 -1.035 . . . . 0.0 110.082 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.507 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 8.7 tt -59.91 -47.68 84.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.933 . . . . 0.0 110.258 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.18 -46.99 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 110.835 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -70.0 -21.55 63.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.56 -1.59 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.93 -1.106 . . . . 0.0 112.084 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.84 -49.63 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.322 -1.486 . . . . 0.0 111.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.48 120.63 25.73 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.61 -1.306 . . . . 0.0 109.791 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 p -150.47 -35.71 0.15 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.306 -0.871 . . . . 0.0 109.708 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.576 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -79.17 -15.83 57.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.247 -0.908 . . . . 0.0 110.894 -179.204 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.576 ' CE2' ' CE1' ' A' ' 42' ' ' HIS . 64.9 m-85 -102.77 -18.97 14.9 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.019 -1.051 . . . . 0.0 109.473 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 ' C ' ' A' ' 43' ' ' PHE . 10.1 mp -112.86 163.41 14.66 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 57.4 mp0 -71.68 3.29 4.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.847 . . . . 0.0 109.463 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 43.5 tt0 78.51 21.27 0.8 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' GLU . 37.1 mm 46.88 95.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.447 -0.783 . . . . 0.0 109.929 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -80.0 -69.97 0.55 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.631 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -107.27 157.88 17.57 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.485 -0.76 . . . . 0.0 109.764 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.92 -37.77 80.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 0.0 109.756 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.09 39.44 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.264 -0.898 . . . . 0.0 109.915 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.67 -34.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.083 -1.011 . . . . 0.0 108.968 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.449 -0.782 . . . . 0.0 109.93 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.14 -41.87 93.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.278 -0.889 . . . . 0.0 110.408 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.75 -49.91 75.6 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.134 -0.979 . . . . 0.0 108.767 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.16 -40.65 83.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.732 -0.605 . . . . 0.0 109.581 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.58 -51.31 69.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.234 -0.916 . . . . 0.0 110.165 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.03 -41.68 99.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.062 -1.024 . . . . 0.0 108.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.43 -39.94 81.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.08 -39.97 75.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.483 -0.761 . . . . 0.0 109.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.31 104.09 1.41 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.074 -1.016 . . . . 0.0 109.636 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.23 -39.97 94.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.575 -0.703 . . . . 0.0 109.822 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -92.47 -7.62 46.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.24 -0.912 . . . . 0.0 111.265 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.53 73.01 Favored Glycine 0 N--CA 1.493 2.454 0 C-N-CA 119.502 -1.332 . . . . 0.0 109.947 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -70.36 -1.53 10.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.013 -1.287 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.49 -19.5 23.42 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.364 -0.922 . . . . 0.0 110.94 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 27.1 mp0 -124.26 173.65 8.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.155 -1.203 . . . . 0.0 109.055 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.8 104.08 13.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.351 -0.843 . . . . 0.0 109.512 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.14 176.09 4.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.418 -0.801 . . . . 0.0 110.512 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.02 -48.1 83.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.62 -0.675 . . . . 0.0 109.379 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -58.54 -55.13 39.02 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.956 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -43.14 95.54 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.963 -1.085 . . . . 0.0 108.473 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -50.46 -46.67 56.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.56 -39.97 80.83 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.08 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 110.416 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -91.89 -27.71 17.75 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.99 -42.14 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 t -66.78 -45.66 77.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.865 . . . . 0.0 108.942 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.38 -39.95 58.21 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.05 -1.031 . . . . 0.0 109.241 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.7 -29.86 47.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.5 p -81.41 -46.55 14.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 109.441 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 p -70.15 -15.11 62.91 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 109.872 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.79 65.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.251 -0.906 . . . . 0.0 109.048 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 95.3 m -78.97 144.72 34.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.58 -0.7 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -80.01 169.99 17.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.24 -0.912 . . . . 0.0 109.606 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.73 156.97 37.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.317 -0.864 . . . . 0.0 109.914 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 41.1 t80 59.96 25.32 14.49 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.677 -0.64 . . . . 0.0 110.022 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -60.09 -39.99 88.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.109 -0.994 . . . . 0.0 108.927 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.75 140.03 58.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.547 -0.721 . . . . 0.0 109.133 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.2 m80 56.23 26.77 10.79 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 0.0 110.033 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 C--N 1.296 -1.753 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.398 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.03 -37.55 80.09 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.201 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -69.96 -35.91 74.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.086 -1.009 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -66.32 -40.11 89.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 109.766 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.03 -40.1 96.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.986 -1.071 . . . . 0.0 109.987 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.61 89.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.926 . . . . 0.0 109.847 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.02 -49.74 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.326 -0.859 . . . . 0.0 109.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.26 -34.52 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.1 86.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.961 -1.087 . . . . 0.0 109.638 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.52 -45.94 92.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.111 -0.993 . . . . 0.0 110.714 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.08 -49.96 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.806 -1.184 . . . . 0.0 109.185 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.59 -41.08 77.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.783 . . . . 0.0 109.646 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.21 -57.35 7.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.224 -0.922 . . . . 0.0 110.289 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.7 -41.46 90.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.107 -0.996 . . . . 0.0 111.246 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.94 -40.05 75.72 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.293 -1.504 . . . . 0.0 108.87 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.51 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 46.3 t80 -73.21 -46.94 47.47 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.465 -0.772 . . . . 0.0 110.396 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -70.03 -20.88 63.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.775 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.52 20.5 37.7 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -82.17 -47.62 12.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.121 -1.223 . . . . 0.0 109.452 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.13 146.38 33.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.373 -0.829 . . . . 0.0 109.584 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.77 -120.78 5.25 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -138.94 147.67 42.56 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.492 -1.005 . . . . 0.0 109.366 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 55.5 pttt -70.13 144.68 51.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.336 -0.852 . . . . 0.0 109.812 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 15.9 t60 82.08 13.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -147.89 104.73 3.6 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.48 130.01 47.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.043 -1.036 . . . . 0.0 110.473 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.11 162.92 14.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.72 -40.04 86.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.027 -1.046 . . . . 0.0 109.319 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.443 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 32.6 t -61.96 -40.12 94.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.988 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.93 -30.7 68.17 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.755 0.788 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.5 -39.95 81.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -62.02 -41.89 98.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.589 -0.695 . . . . 0.0 110.627 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 30' ' ' SER . 2.6 mp0 -60.33 -44.52 95.42 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.016 -1.052 . . . . 0.0 110.053 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.51 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 8.9 tt -60.0 -47.41 85.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.151 -0.968 . . . . 0.0 110.299 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.3 -47.0 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.202 -0.937 . . . . 0.0 110.834 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -70.02 -21.36 63.2 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.109 -0.995 . . . . 0.0 111.087 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -86.64 -1.77 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.879 -1.138 . . . . 0.0 112.23 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.64 -49.68 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.282 -1.511 . . . . 0.0 111.544 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -82.23 120.68 25.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.559 -1.338 . . . . 0.0 109.731 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 53.5 p -150.58 -35.73 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.348 -0.845 . . . . 0.0 109.692 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.578 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 0.0 OUTLIER -79.33 -15.82 57.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.33 -0.856 . . . . 0.0 110.847 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.578 ' CE2' ' CE1' ' B' ' 42' ' ' HIS . 64.8 m-85 -102.77 -18.78 14.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.021 -1.049 . . . . 0.0 109.509 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.489 HD12 ' C ' ' B' ' 43' ' ' PHE . 10.2 mp -112.91 163.38 14.72 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 57.3 mp0 -71.75 3.5 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.486 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.6 tt0 78.26 21.35 0.85 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.415 0.626 . . . . 0.0 109.437 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' B' ' 46' ' ' GLU . 36.5 mm 46.92 95.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.443 -0.786 . . . . 0.0 109.957 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -79.96 -70.11 0.54 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.362 -0.836 . . . . 0.0 109.472 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -107.26 158.09 17.4 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.423 -0.798 . . . . 0.0 109.819 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -60.11 -37.65 80.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 0.0 109.674 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.04 39.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.249 -0.907 . . . . 0.0 109.931 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.62 -34.72 71.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.081 -1.012 . . . . 0.0 108.935 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.27 -46.5 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.16 -41.83 93.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.209 -0.932 . . . . 0.0 110.369 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.66 -49.9 75.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.103 -0.998 . . . . 0.0 108.792 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.27 -40.74 83.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.73 -0.606 . . . . 0.0 109.549 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.59 -51.19 69.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.292 -0.88 . . . . 0.0 110.254 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.0 -41.77 99.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 108.809 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -68.32 -39.99 81.78 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.0 -40.41 75.3 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.429 -0.794 . . . . 0.0 109.829 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.72 104.05 1.23 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.148 -0.97 . . . . 0.0 109.643 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.21 -40.0 94.65 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.544 -0.723 . . . . 0.0 109.884 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -92.49 -7.62 46.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.242 -0.911 . . . . 0.0 111.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.42 73.0 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.0 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.431 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 35.4 p-10 -70.12 -1.74 10.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.023 -1.28 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -19.48 23.85 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.355 -0.926 . . . . 0.0 110.862 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 27.1 mp0 -124.22 173.84 8.08 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.151 -1.205 . . . . 0.0 109.036 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.1 m -108.93 104.14 13.32 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.439 -0.788 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.25 176.18 4.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.427 -0.796 . . . . 0.0 110.505 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.0 -48.32 82.21 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.472 0.653 . . . . 0.0 109.292 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -58.44 -55.06 39.88 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.989 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -43.2 95.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.983 -1.073 . . . . 0.0 108.445 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.46 -46.47 56.73 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.8 -39.8 79.91 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.23 -13.1 2.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.051 -1.03 . . . . 0.0 110.411 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -91.72 -27.79 17.84 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.96 -42.32 89.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 45.5 t -66.71 -45.81 77.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 108.904 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.21 -40.03 57.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.147 -0.971 . . . . 0.0 109.308 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.6 -29.8 47.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 109.714 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 58.7 p -81.5 -46.67 14.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.165 -0.959 . . . . 0.0 109.4 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 p -70.03 -15.2 62.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.527 -0.733 . . . . 0.0 109.927 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.85 65.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 109.042 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.6 m -79.0 144.83 34.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.345 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -80.05 170.02 17.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.0 109.656 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.62 156.91 37.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.406 -0.809 . . . . 0.0 109.92 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.508 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 41.2 t80 59.91 25.25 14.37 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.725 -0.609 . . . . 0.0 110.047 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 108.917 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.65 140.03 58.82 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.392 -0.818 . . . . 0.0 109.014 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 m80 56.16 26.71 10.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.537 -0.727 . . . . 0.0 110.014 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--N 1.295 -1.778 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.42 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.445 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 97.4 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.19 -32.58 74.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 110.215 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.97 -38.14 75.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.1 mp0 -64.33 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.037 -1.039 . . . . 0.0 109.532 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.75 87.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.067 -1.02 . . . . 0.0 109.315 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.92 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.12 -48.02 83.46 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.191 -0.943 . . . . 0.0 109.123 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.05 -37.81 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.533 -0.729 . . . . 0.0 109.35 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.16 78.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.879 -1.138 . . . . 0.0 109.415 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.03 -47.99 83.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.98 -1.075 . . . . 0.0 110.575 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.05 -51.2 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.011 -1.056 . . . . 0.0 110.119 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.03 -40.53 89.68 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.346 -0.846 . . . . 0.0 109.135 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.0 -41.46 79.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.431 -0.793 . . . . 0.0 109.772 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.88 -55.9 28.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.105 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -59.9 -40.1 87.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.119 -0.988 . . . . 0.0 111.586 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.69 -40.31 92.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 119.977 -1.702 . . . . 0.0 110.399 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -71.34 -42.36 68.64 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.259 -0.9 . . . . 0.0 110.089 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.419 ' OG ' HD11 ' A' ' 27' ' ' LEU . 54.6 m -72.95 -13.22 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.645 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.59 13.95 62.69 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 121.142 -0.974 . . . . 0.0 110.824 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -68.92 -39.79 79.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.821 -1.399 . . . . 0.0 109.031 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -96.59 1.5 51.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.553 -0.717 . . . . 0.0 109.68 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.73 -9.97 75.32 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 39.5 p-10 -99.62 106.12 18.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.324 -1.104 . . . . 0.0 109.433 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 64.7 mttp -93.05 146.41 23.66 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.146 -0.971 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 10.6 t-80 74.76 31.39 0.92 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.615 -0.678 . . . . 0.0 109.994 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -158.97 101.04 1.6 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -100.25 121.12 40.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.276 -0.89 . . . . 0.0 111.234 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -92.31 164.53 13.48 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.15 -38.58 73.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.112 -0.992 . . . . 0.0 110.018 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -34.29 74.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.035 -1.041 . . . . 0.0 109.151 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.54 -30.43 64.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.563 -0.711 . . . . 0.0 109.169 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.22 -41.79 89.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.422 -0.798 . . . . 0.0 109.456 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -63.92 -44.88 91.58 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.355 -0.841 . . . . 0.0 110.185 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -42.24 79.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.782 -1.199 . . . . 0.0 109.925 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.518 HD11 ' OE2' ' A' ' 39' ' ' GLU . 57.8 tp -60.16 -49.08 79.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.873 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.19 -47.74 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 0.0 110.41 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -60.04 -41.4 92.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.068 -1.02 . . . . 0.0 111.101 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -72.66 -41.66 65.18 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.012 -1.055 . . . . 0.0 110.896 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.518 ' OE2' HD11 ' A' ' 35' ' ' LEU . 99.9 mt-10 -87.44 -75.06 0.42 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.454 -0.779 . . . . 0.0 111.44 -177.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.8 mp -82.01 120.76 25.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.035 . . . . 0.0 110.597 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -131.26 -60.05 0.96 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -81.82 -10.76 59.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.191 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -98.73 -0.56 42.52 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 tp -145.92 145.02 30.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.024 -1.047 . . . . 0.0 109.187 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 58.2 mp0 -69.93 142.23 52.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 108.9 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 51.5 mp0 -64.64 139.87 58.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -99.98 120.53 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.368 -0.832 . . . . 0.0 109.751 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -96.48 -22.88 16.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.892 . . . . 0.0 109.685 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -115.17 130.03 56.81 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' VAL . 54.5 tt0 -60.74 -38.9 86.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.653 -0.654 . . . . 0.0 110.246 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -46.24 -32.5 3.09 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.159 -0.963 . . . . 0.0 109.617 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.87 -31.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.326 -0.858 . . . . 0.0 108.893 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' GLN . 55.3 t -69.61 -41.15 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 108.869 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.15 -40.01 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.571 -0.706 . . . . 0.0 109.838 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -65.88 -40.62 91.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 108.767 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.05 -40.17 88.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.644 -0.66 . . . . 0.0 109.366 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 ttm -66.17 -44.39 84.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.28 -50.33 74.07 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 109.627 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -70.08 -39.99 75.26 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.509 -0.745 . . . . 0.0 109.651 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.05 -39.76 75.53 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.473 -0.767 . . . . 0.0 109.768 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 65.1 t0 -66.16 110.53 3.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.324 -0.86 . . . . 0.0 110.241 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.06 -49.69 76.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.686 -0.633 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -94.19 -1.22 54.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.039 -1.038 . . . . 0.0 111.264 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.74 71.99 Favored Glycine 0 N--CA 1.49 2.294 0 O-C-N 120.632 -1.293 . . . . 0.0 110.274 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 39.3 p-10 -72.58 -0.86 14.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.358 . . . . 0.0 109.717 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.71 28.37 65.33 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -159.43 159.5 33.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.8 t -113.92 103.54 11.27 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.096 -1.003 . . . . 0.0 109.203 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 35.3 t0 -71.03 175.42 5.2 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.144 0.973 . . . . 0.0 111.242 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.497 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 51.9 t80 -64.04 -44.25 93.07 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.717 0.77 . . . . 0.0 109.201 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -59.41 -54.83 42.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.949 -1.094 . . . . 0.0 109.403 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.0 mt-10 -60.17 -42.23 94.52 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.814 -1.179 . . . . 0.0 108.783 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -46.4 -39.92 11.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.3 mmm -69.05 -28.87 66.93 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.97 -55.58 27.95 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.2 -40.06 61.01 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.89 -43.8 96.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 81' ' ' THR . 66.1 m -71.48 -47.69 53.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.893 . . . . 0.0 110.037 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.2 ttt -51.33 -40.47 59.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.427 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.4 -26.14 38.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' SER . 17.6 m -81.06 -49.92 10.29 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.523 0.678 . . . . 0.0 109.203 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 p -70.71 -16.72 62.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.387 -0.82 . . . . 0.0 110.145 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.04 94.36 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 108.7 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.4 m -88.81 77.46 7.8 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -60.29 -40.01 88.93 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.33 -0.856 . . . . 0.0 109.137 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.46 143.48 44.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.318 -0.864 . . . . 0.0 109.195 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -74.68 129.59 38.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.087 -1.008 . . . . 0.0 108.861 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' CE2' ' O ' ' A' ' 89' ' ' GLU . 64.5 t80 -60.64 134.29 56.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.917 . . . . 0.0 109.91 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.513 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 85.4 tt0 -82.43 133.77 35.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.452 -0.78 . . . . 0.0 109.164 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.6 139.17 41.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.066 -1.021 . . . . 0.0 109.3 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.191 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.24 -32.78 74.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.071 . . . . 0.0 110.185 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.09 -37.69 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.994 -1.066 . . . . 0.0 110.529 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' B' ' 4' ' ' GLU . 1.8 mp0 -64.07 -40.21 95.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.043 -1.036 . . . . 0.0 109.458 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.31 -39.96 88.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.965 -1.084 . . . . 0.0 109.42 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.372 -0.83 . . . . 0.0 109.559 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttm -60.0 -47.93 83.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.099 -1.001 . . . . 0.0 109.053 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.06 -37.48 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.55 -0.719 . . . . 0.0 109.235 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.11 80.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.75 -1.219 . . . . 0.0 109.488 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.94 -48.13 82.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.145 -0.972 . . . . 0.0 110.498 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.91 -51.2 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.904 -1.123 . . . . 0.0 110.171 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.07 -40.35 89.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.95 -41.72 79.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 109.889 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.0 -55.81 29.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.787 -1.196 . . . . 0.0 111.11 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -60.03 -40.01 87.84 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.211 -0.93 . . . . 0.0 111.527 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.82 -39.96 91.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.097 -1.627 . . . . 0.0 110.44 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -71.58 -42.37 67.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.326 -0.858 . . . . 0.0 110.102 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.43 ' OG ' HD11 ' B' ' 27' ' ' LEU . 51.5 m -73.12 -13.05 61.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.0 109.522 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.31 13.62 63.16 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -68.97 -39.79 79.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.835 -1.391 . . . . 0.0 109.272 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -96.7 1.83 51.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.452 -0.78 . . . . 0.0 109.659 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.81 -10.68 72.92 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -99.0 106.41 18.66 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.238 -1.154 . . . . 0.0 109.44 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 63.9 mttp -93.21 146.41 23.71 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.277 -0.889 . . . . 0.0 109.749 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.421 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 11.1 t-80 74.7 31.06 0.97 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.6 0.714 . . . . 0.0 109.952 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -158.55 101.16 1.67 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.49 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.8 mp -100.35 120.99 40.78 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.156 -0.965 . . . . 0.0 111.247 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -91.72 164.12 13.84 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -56.95 -38.98 73.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.266 -0.896 . . . . 0.0 109.723 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -60.68 -34.46 74.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -72.16 -30.55 65.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.02 -41.69 90.64 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.479 -0.763 . . . . 0.0 109.413 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -63.98 -45.08 90.65 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.204 -0.935 . . . . 0.0 110.244 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.49 -42.4 78.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 109.763 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.497 HD11 ' OE2' ' B' ' 39' ' ' GLU . 54.6 tp -59.88 -49.17 78.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.461 -0.774 . . . . 0.0 110.026 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.94 -47.83 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.837 . . . . 0.0 110.337 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.16 -41.65 93.24 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.949 -1.094 . . . . 0.0 111.029 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -72.12 -41.9 66.7 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.037 -1.039 . . . . 0.0 110.942 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.497 ' OE2' HD11 ' B' ' 35' ' ' LEU . 99.5 mt-10 -87.51 -75.03 0.42 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 111.291 -177.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.496 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.0 mp -82.23 120.78 25.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.954 -1.091 . . . . 0.0 110.628 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 63.1 p -131.2 -60.08 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -81.54 -10.97 59.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.162 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -98.87 -0.9 41.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.348 -0.845 . . . . 0.0 109.956 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.36 145.17 31.08 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.05 -1.031 . . . . 0.0 109.242 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 58.7 mp0 -70.12 142.01 52.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 0.0 108.87 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 52.9 mp0 -64.42 140.03 58.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.298 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.6 mt -100.4 120.56 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.338 -0.851 . . . . 0.0 109.507 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -96.48 -22.24 17.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.053 -1.029 . . . . 0.0 109.711 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -115.41 130.23 56.82 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.292 -0.88 . . . . 0.0 110.822 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' B' ' 53' ' ' VAL . 54.3 tt0 -60.9 -38.91 87.32 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.652 -0.655 . . . . 0.0 110.305 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -46.26 -32.6 3.17 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 -31.25 52.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.289 -0.882 . . . . 0.0 108.922 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.5 t -69.51 -41.34 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.423 -0.798 . . . . 0.0 108.922 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -61.95 -40.12 94.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.982 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.08 -40.12 90.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.153 -0.967 . . . . 0.0 108.845 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.27 -40.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.705 -0.622 . . . . 0.0 109.382 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 5.8 ttm -66.36 -44.26 83.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.328 -0.858 . . . . 0.0 110.043 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.29 -50.36 73.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.405 -0.809 . . . . 0.0 109.725 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.5 m -70.1 -40.24 75.06 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.645 0.736 . . . . 0.0 109.41 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.0 -40.0 75.55 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.674 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 65.3 t0 -65.77 110.59 2.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.259 -0.901 . . . . 0.0 110.344 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.28 -49.35 77.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.767 -0.583 . . . . 0.0 110.77 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 48.5 p-10 -94.56 -0.85 54.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.032 -1.042 . . . . 0.0 111.362 -178.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.74 28.56 71.83 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 119.545 -1.312 . . . . 0.0 110.283 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.505 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 39.6 p-10 -72.56 -1.08 14.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.878 -1.366 . . . . 0.0 109.71 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 26.58 66.51 Favored Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.886 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -158.84 159.51 35.14 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 22.3 t -113.22 103.24 11.14 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.968 -1.082 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.4 t0 -70.9 175.61 4.95 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 122.273 1.035 . . . . 0.0 111.104 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.519 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 52.6 t80 -64.33 -44.17 92.37 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.178 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.18 -55.0 40.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.035 -1.041 . . . . 0.0 109.346 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 75' ' ' ALA . 97.1 mt-10 -59.82 -42.67 94.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.811 -1.181 . . . . 0.0 108.92 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -46.35 -39.94 11.1 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -68.87 -29.23 67.49 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 0.0 108.577 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.08 -55.3 30.4 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.15 -40.06 60.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -43.79 96.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 81' ' ' THR . 70.9 m -71.05 -48.36 53.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.544 -0.723 . . . . 0.0 109.947 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ttt -51.0 -40.42 58.06 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.965 . . . . 0.0 109.586 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 78.0 t -65.75 -25.85 37.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.432 ' N ' ' O ' ' B' ' 78' ' ' SER . 15.7 m -81.39 -49.88 10.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -70.64 -16.98 62.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.1 94.93 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 108.681 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 68.0 m -88.48 77.03 8.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -60.11 -39.81 87.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.386 -0.821 . . . . 0.0 109.311 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.5 143.39 44.61 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.27 -0.894 . . . . 0.0 109.12 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -74.85 129.43 37.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.027 -1.046 . . . . 0.0 108.922 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.522 ' CE2' ' O ' ' B' ' 89' ' ' GLU . 64.4 t80 -60.49 134.11 56.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.162 -0.961 . . . . 0.0 109.945 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.522 ' O ' ' CE2' ' B' ' 88' ' ' PHE . 85.6 tt0 -82.3 133.71 35.25 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -75.79 139.32 41.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.043 -1.036 . . . . 0.0 109.322 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.182 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -59.97 -39.28 85.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.281 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -70.76 -36.13 72.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.859 -1.151 . . . . 0.0 109.419 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 85.8 tt0 -69.36 -40.06 77.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.034 -1.042 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.94 -39.86 86.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.578 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -60.01 -46.98 87.71 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.2 ttp -61.58 -50.54 72.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.404 -0.81 . . . . 0.0 109.555 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -40.11 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 90.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.286 -0.884 . . . . 0.0 109.694 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.93 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.93 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.092 . . . . 0.0 109.109 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.99 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.277 -0.89 . . . . 0.0 108.705 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.45 -40.07 83.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.45 -54.75 31.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.136 -0.977 . . . . 0.0 110.547 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.97 -41.19 91.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.15 -0.968 . . . . 0.0 111.755 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.28 -40.06 77.98 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.403 -1.436 . . . . 0.0 110.157 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -74.96 -45.82 39.7 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.484 -0.887 . . . . 0.0 110.275 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -70.37 -20.16 62.98 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 110.127 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.19 20.69 20.04 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -88.65 -55.81 3.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.273 . . . . 0.0 108.77 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -139.85 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.87 179.04 33.36 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -60.11 -54.47 45.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.239 . . . . 0.0 109.648 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -176.77 -66.63 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.437 -0.789 . . . . 0.0 110.008 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.626 ' CE1' ' NZ ' ' A' ' 26' ' ' LYS . 29.1 p-80 -109.51 25.04 12.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.109 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 25' ' ' HIS . 13.9 mptt -105.26 121.55 44.09 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -98.09 121.97 40.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.342 -0.849 . . . . 0.0 109.152 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -90.93 163.36 14.39 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.933 -1.104 . . . . 0.0 108.988 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.2 p -63.91 -40.04 95.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.03 -1.044 . . . . 0.0 108.561 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.03 -32.56 70.76 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.616 0.722 . . . . 0.0 109.189 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.98 -40.53 75.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 109.57 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -63.41 -40.08 96.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.364 -0.835 . . . . 0.0 109.988 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.8 -43.59 83.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 109.309 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.517 HD11 ' CD ' ' A' ' 39' ' ' GLU . 60.8 tp -59.93 -46.5 89.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.501 -0.749 . . . . 0.0 109.348 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.2 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.737 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -39.96 94.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.126 -0.984 . . . . 0.0 110.304 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -78.88 -51.55 9.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.172 -0.955 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.517 ' CD ' HD11 ' A' ' 35' ' ' LEU . 97.2 mt-10 -86.04 -73.93 0.43 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.074 -1.016 . . . . 0.0 111.439 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 36' ' ' ILE . 5.4 mp -88.79 94.9 10.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.863 -1.148 . . . . 0.0 110.857 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 t -140.37 -36.06 0.49 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -73.55 -7.0 50.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.62 -0.675 . . . . 0.0 110.404 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CZ ' ' OE2' ' B' ' 4' ' ' GLU . 84.7 m-85 -113.9 -9.53 13.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.066 -1.021 . . . . 0.0 109.031 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.7 mp -107.31 174.67 5.78 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.836 0.827 . . . . 0.0 110.347 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -89.52 13.81 12.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.764 -0.585 . . . . 0.0 110.042 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.02 96.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.4 -0.812 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 93.3 mt -67.26 123.89 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.037 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -103.54 -24.77 13.39 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.599 -0.688 . . . . 0.0 109.938 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -100.55 136.48 40.36 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.207 -0.933 . . . . 0.0 110.273 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -68.75 -39.94 80.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.329 -0.857 . . . . 0.0 109.56 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.36 -31.95 55.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.82 . . . . 0.0 109.799 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.41 -33.88 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.99 -44.64 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.09 -49.94 75.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.681 -0.637 . . . . 0.0 109.896 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -59.92 -49.93 75.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.01 -40.96 89.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tpt -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.319 -0.863 . . . . 0.0 109.709 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.0 -41.99 93.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.142 -0.974 . . . . 0.0 108.915 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -66.57 -40.02 88.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.48 -0.762 . . . . 0.0 109.317 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -71.68 -41.16 69.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.618 -0.677 . . . . 0.0 109.905 -179.743 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.62 99.62 0.61 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.031 -1.043 . . . . 0.0 110.657 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.09 -39.9 90.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 108.947 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -86.41 -10.78 53.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.494 -0.754 . . . . 0.0 110.387 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.68 74.11 Favored Glycine 0 N--CA 1.492 2.42 0 C-N-CA 119.872 -1.156 . . . . 0.0 110.279 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 38.2 p-10 -72.54 -5.67 38.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.94 -1.329 . . . . 0.0 110.244 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.01 -9.18 40.01 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.748 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 14.6 pt-20 -137.95 164.5 28.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.933 -1.333 . . . . 0.0 107.784 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.81 107.71 17.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.847 -1.158 . . . . 0.0 110.095 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -72.88 -179.04 2.98 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.79 0.805 . . . . 0.0 110.487 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.06 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.349 0.595 . . . . 0.0 110.216 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.488 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 25.8 mp0 -58.64 -54.62 45.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.097 -1.002 . . . . 0.0 109.752 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -41.06 91.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.919 -1.113 . . . . 0.0 108.324 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -51.53 -39.95 58.71 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -65.9 -28.36 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.189 -0.945 . . . . 0.0 108.988 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.34 -53.65 33.76 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.17 -40.0 45.45 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -41.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 81' ' ' THR . 59.7 p -70.07 -48.19 58.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ttt -47.93 -40.57 22.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.37 -0.831 . . . . 0.0 109.427 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.92 -27.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' SER . 12.4 m -83.06 -47.21 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -69.02 -16.56 63.74 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.603 -0.686 . . . . 0.0 109.959 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.29 -64.66 1.05 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 108.62 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.2 m -77.42 68.87 3.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.671 -0.643 . . . . 0.0 109.621 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -60.11 -40.07 88.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.289 -0.882 . . . . 0.0 109.532 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -69.46 140.14 54.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 0.0 109.53 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 78.5 t80 -67.32 138.0 56.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.214 -0.929 . . . . 0.0 109.474 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 64.1 m-85 -61.61 141.74 57.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.261 -0.899 . . . . 0.0 109.779 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.12 139.81 57.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.262 -0.899 . . . . 0.0 109.571 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.366 -0.834 . . . . 0.0 109.979 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.851 -179.182 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 58.4 mp0 -59.95 -39.47 85.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.915 . . . . 0.0 110.308 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.58 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.0 OUTLIER -70.8 -36.03 72.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.096 . . . . 0.0 109.413 179.557 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.489 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 86.3 tt0 -69.57 -39.92 77.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.993 -1.067 . . . . 0.0 110.236 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.07 -39.86 87.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.218 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.578 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -60.03 -46.88 88.04 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.9 ttp -61.85 -50.35 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.157 -0.964 . . . . 0.0 109.026 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.88 90.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.842 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.98 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.295 -0.878 . . . . 0.0 110.067 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.061 -1.025 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 108.654 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.55 -40.06 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -0.95 . . . . 0.0 109.158 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.53 -54.74 31.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.178 -0.951 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -60.06 -40.71 90.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.087 -1.008 . . . . 0.0 111.825 -177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.43 -39.92 77.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.367 -1.458 . . . . 0.0 110.162 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -75.37 -45.39 39.56 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 110.253 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -70.28 -20.52 63.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.218 -0.926 . . . . 0.0 110.084 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.99 20.62 19.45 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.74 -55.8 3.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.011 -1.288 . . . . 0.0 108.803 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.82 159.85 41.24 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.4 179.29 32.54 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' B' ' 23' ' ' ASP . 35.7 t0 -60.52 -54.85 40.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.212 -1.17 . . . . 0.0 109.494 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -176.25 -66.72 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 110.072 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.659 ' CE1' ' HZ2' ' B' ' 26' ' ' LYS . 27.2 p-80 -109.38 25.29 11.97 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.47 -0.768 . . . . 0.0 109.978 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.659 ' HZ2' ' CE1' ' B' ' 25' ' ' HIS . 13.6 mptt -105.23 121.48 43.94 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 91.8 mt -97.82 121.74 40.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.271 -0.893 . . . . 0.0 109.186 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -91.08 163.5 14.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -59.96 -40.02 87.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.957 -1.089 . . . . 0.0 109.066 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -63.64 -39.96 95.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.969 -1.082 . . . . 0.0 108.573 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.04 -32.7 70.95 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.627 0.727 . . . . 0.0 109.168 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.93 -40.68 75.38 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.619 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -63.37 -40.27 96.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.394 -0.816 . . . . 0.0 109.88 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -66.57 -43.77 84.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.105 -0.997 . . . . 0.0 109.396 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.519 HD11 ' CD ' ' B' ' 39' ' ' GLU . 62.1 tp -59.88 -47.07 87.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.143 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' B' ' 40' ' ' LEU . 93.1 mt -61.39 -44.18 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.186 -0.946 . . . . 0.0 109.767 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.44 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 110.338 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -79.12 -51.65 9.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.519 ' CD ' HD11 ' B' ' 35' ' ' LEU . 98.1 mt-10 -85.84 -73.58 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.029 -1.044 . . . . 0.0 111.495 -177.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 36' ' ' ILE . 5.3 mp -89.0 94.74 10.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -140.2 -36.24 0.49 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -73.32 -7.12 50.24 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.58 -0.7 . . . . 0.0 110.482 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 4' ' ' GLU . 83.5 m-85 -113.81 -9.83 13.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.077 -1.014 . . . . 0.0 108.963 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.488 ' N ' HD12 ' B' ' 44' ' ' LEU . 10.8 mp -106.99 174.73 5.76 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.86 0.838 . . . . 0.0 110.385 -178.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.46 13.72 13.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.849 -0.532 . . . . 0.0 109.968 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.03 96.24 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.578 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.45 123.96 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 110.022 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -103.76 -24.38 13.33 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.535 -0.728 . . . . 0.0 109.975 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -100.8 136.65 40.33 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.162 -0.961 . . . . 0.0 110.151 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -68.68 -40.06 80.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.824 . . . . 0.0 109.447 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.18 -32.16 54.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.448 -0.783 . . . . 0.0 109.744 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.38 -33.97 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 0.0 108.841 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.94 -44.75 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.96 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.521 -0.737 . . . . 0.0 109.996 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.96 -49.8 76.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 108.362 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.9 -40.97 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.619 -0.676 . . . . 0.0 109.295 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.5 tpt -60.02 -50.07 75.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 0.0 109.786 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 0.0 108.876 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -66.54 -40.05 88.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.772 . . . . 0.0 109.342 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.577 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -71.24 -41.88 69.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.625 -0.672 . . . . 0.0 109.866 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -66.29 99.82 0.57 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.93 -1.106 . . . . 0.0 110.721 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.19 -39.62 89.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.954 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -86.63 -10.67 53.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.442 -0.786 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.91 24.36 74.34 Favored Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.809 -1.186 . . . . 0.0 110.174 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 38.4 p-10 -72.33 -5.92 39.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.966 -1.314 . . . . 0.0 110.351 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.27 -9.38 40.93 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.732 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.435 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 14.6 pt-20 -137.93 164.47 28.93 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.054 -1.262 . . . . 0.0 107.869 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.4 t -109.82 107.7 17.76 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.856 -1.153 . . . . 0.0 110.015 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -72.74 -179.42 3.1 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.719 0.771 . . . . 0.0 110.455 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.05 -49.62 76.93 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.476 0.655 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.484 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 25.8 mp0 -58.58 -54.96 41.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.106 -0.996 . . . . 0.0 109.725 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.959 -1.088 . . . . 0.0 108.356 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 92.3 t80 -51.33 -39.93 58.0 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.781 -0.768 . . . . 0.0 108.968 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.4 tpt -65.79 -28.54 69.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.67 -53.27 35.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 0.0 108.683 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.04 -39.94 43.34 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.2 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.518 ' O ' ' N ' ' B' ' 81' ' ' THR . 60.0 p -69.97 -48.31 58.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.83 . . . . 0.0 109.398 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.3 ttt -48.13 -40.54 23.94 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.271 -0.893 . . . . 0.0 109.339 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -68.61 -27.77 37.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.518 ' N ' ' O ' ' B' ' 78' ' ' SER . 12.3 m -82.92 -47.5 11.73 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.759 0.79 . . . . 0.0 109.109 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -68.49 -16.78 64.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.714 -0.616 . . . . 0.0 109.976 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.46 -64.82 1.02 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.509 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.9 m -77.13 68.84 3.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.498 -0.751 . . . . 0.0 109.66 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.16 -39.93 88.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.311 -0.868 . . . . 0.0 109.656 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.59 140.38 53.77 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 109.5 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' B' ' 88' ' ' PHE . 80.7 t80 -67.41 138.05 56.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.159 -0.963 . . . . 0.0 109.475 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.503 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 62.8 m-85 -61.59 141.62 57.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.124 -0.985 . . . . 0.0 109.732 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.05 139.5 57.42 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -59.95 -40.07 87.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.346 -0.846 . . . . 0.0 110.063 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.784 -179.234 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -35.41 75.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.202 -0.936 . . . . 0.0 110.196 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.5 -33.27 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.814 -1.179 . . . . 0.0 109.813 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.21 -41.97 99.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.03 -39.91 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.3 -0.875 . . . . 0.0 110.004 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.52 85.46 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 67.1 mtt -59.91 -47.41 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.051 -1.031 . . . . 0.0 109.291 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -59.96 -40.07 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.613 -0.68 . . . . 0.0 110.97 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.3 93.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.64 -1.287 . . . . 0.0 110.503 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.98 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.884 -1.135 . . . . 0.0 109.539 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.99 -51.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.933 -1.105 . . . . 0.0 109.717 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -42.84 94.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 109.847 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.9 -42.03 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.13 -53.67 55.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.137 -0.977 . . . . 0.0 110.027 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.96 -43.67 94.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 112.077 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.72 -39.95 76.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.304 -1.498 . . . . 0.0 109.513 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CZ ' ' NH2' ' A' ' 20' ' ' ARG . 65.2 t80 -69.06 -46.22 68.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.528 -0.732 . . . . 0.0 109.17 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -76.12 -18.05 59.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.62 13.67 61.86 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.596 ' NH2' ' CZ ' ' A' ' 17' ' ' TYR . 85.3 mtm180 -72.15 -39.65 68.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.874 -1.368 . . . . 0.0 108.499 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.544 ' C ' ' H ' ' A' ' 23' ' ' ASP . 31.6 mp0 -108.92 161.55 15.04 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.38 37.17 0.12 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 21' ' ' GLU . 43.4 p-10 -125.75 92.32 3.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.36 -1.083 . . . . 0.0 108.86 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 99.0 mttt -100.09 122.76 43.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.169 -0.957 . . . . 0.0 111.253 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.3 t-80 87.94 28.91 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.132 0.492 . . . . 0.0 110.905 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -170.86 123.59 0.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.8 mt -109.75 142.74 40.55 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.797 0.808 . . . . 0.0 110.799 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -97.3 167.65 10.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -58.01 -39.61 78.73 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -59.96 -38.25 81.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.016 -1.053 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.04 -34.55 73.38 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.12 -42.43 76.07 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.716 -0.615 . . . . 0.0 109.407 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -66.96 -40.02 87.38 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.336 -0.853 . . . . 0.0 110.225 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 88.1 tt0 -59.98 -42.95 95.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.061 -1.024 . . . . 0.0 109.546 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.98 -43.05 91.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.8 mt -62.08 -42.68 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.105 -0.997 . . . . 0.0 109.347 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.09 -45.36 93.21 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 109.566 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -80.71 -42.96 21.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.549 -0.719 . . . . 0.0 110.803 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 36' ' ' ILE . 23.2 tp10 -113.61 164.85 13.14 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.381 -0.824 . . . . 0.0 110.294 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mp 61.31 21.35 11.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.364 -0.835 . . . . 0.0 110.371 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.7 m -64.03 -45.71 87.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 109.411 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -81.46 -24.12 37.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.219 -0.926 . . . . 0.0 110.115 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -98.54 0.03 44.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.72 134.05 7.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.908 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 42.5 mp0 -72.4 140.85 48.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.861 . . . . 0.0 109.411 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.66 136.99 58.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.17 -0.956 . . . . 0.0 108.736 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.3 mt -107.02 119.98 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.42 -0.8 . . . . 0.0 109.284 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -96.32 -13.0 23.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 57.4 mp0 -99.59 118.8 36.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.087 -1.008 . . . . 0.0 109.705 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.04 -39.24 94.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.375 -0.828 . . . . 0.0 109.47 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -53.81 -35.37 61.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.505 -0.747 . . . . 0.0 109.605 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.2 -36.34 67.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.854 -1.154 . . . . 0.0 108.315 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.97 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -59.98 -40.39 88.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.73 -44.3 97.18 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.02 -1.05 . . . . 0.0 109.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.97 -41.88 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.315 -0.865 . . . . 0.0 109.542 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 ttt -60.16 -47.68 84.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.352 -0.842 . . . . 0.0 110.971 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.06 -41.05 91.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.945 -1.097 . . . . 0.0 109.095 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.01 95.18 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.577 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -72.41 -39.98 67.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.49 -0.757 . . . . 0.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.74 93.79 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.027 -1.046 . . . . 0.0 110.645 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.6 mp0 -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.152 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -82.47 -15.52 52.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.935 . . . . 0.0 110.277 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.09 29.93 70.2 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -76.47 0.09 21.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.121 -1.223 . . . . 0.0 110.523 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.11 2.02 65.05 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.783 -1.198 . . . . 0.0 110.223 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -139.92 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -106.95 108.44 19.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.867 -1.146 . . . . 0.0 109.078 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -70.23 -178.73 1.75 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.288 -0.882 . . . . 0.0 110.173 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.98 -50.06 75.25 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.536 0.684 . . . . 0.0 109.584 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.41 -52.18 66.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 109.614 -177.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.02 -44.27 94.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.625 -1.297 . . . . 0.0 108.188 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -47.14 -42.66 19.81 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' VAL . 96.5 mmm -70.09 -39.98 75.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.94 -12.86 0.91 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.939 -1.1 . . . . 0.0 110.184 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -91.73 -30.28 16.35 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' MET . 54.6 t -66.33 -39.92 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.732 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.8 p -71.32 -50.49 31.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 110.159 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 ttt -54.26 -39.97 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.983 -1.073 . . . . 0.0 108.683 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.99 -33.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -62.62 -43.04 99.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.413 -0.804 . . . . 0.0 109.176 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -70.44 -51.98 25.5 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.143 -0.973 . . . . 0.0 108.705 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.43 -39.79 23.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.502 -0.749 . . . . 0.0 109.516 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.8 m -56.38 140.01 46.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.0 109.309 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -60.54 138.69 58.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.315 -0.865 . . . . 0.0 109.775 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -75.0 139.92 43.25 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.378 -0.826 . . . . 0.0 109.319 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 59.6 t80 50.0 70.14 0.53 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.169 -0.957 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 89' ' ' GLU . 64.0 t80 -62.53 140.05 58.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.231 -0.918 . . . . 0.0 109.028 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.532 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 19.6 pt-20 -80.17 149.94 30.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.08 -1.013 . . . . 0.0 110.058 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 89' ' ' GLU . 17.2 m80 53.95 100.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.234 -0.916 . . . . 0.0 109.374 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.299 -1.619 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.461 -179.8 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.05 -35.05 74.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.09 -33.21 74.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.802 -1.187 . . . . 0.0 109.649 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.94 -42.19 99.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 109.94 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.903 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.63 85.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.486 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.04 -47.25 86.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.105 -0.997 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.04 -40.03 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.575 -0.703 . . . . 0.0 111.049 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.96 94.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.675 -1.265 . . . . 0.0 110.632 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.03 -49.43 77.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.04 -1.038 . . . . 0.0 109.505 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -51.9 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.991 -1.068 . . . . 0.0 109.82 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.1 -42.76 95.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.73 -42.28 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 109.472 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.06 -53.73 54.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.058 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.92 -43.63 94.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.185 -0.947 . . . . 0.0 112.097 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.74 -40.01 76.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.32 -1.488 . . . . 0.0 109.358 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.594 ' CZ ' ' NH2' ' B' ' 20' ' ' ARG . 64.7 t80 -69.06 -46.2 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 109.287 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.0 t -76.07 -18.1 59.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.56 13.56 62.05 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.594 ' NH2' ' CZ ' ' B' ' 17' ' ' TYR . 84.7 mtm180 -72.08 -39.52 68.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.761 -1.435 . . . . 0.0 108.602 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' B' ' 23' ' ' ASP . 31.6 mp0 -108.99 161.57 15.03 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.58 37.4 0.13 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' B' ' 21' ' ' GLU . 43.8 p-10 -125.77 92.09 3.53 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -1.092 . . . . 0.0 108.895 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 99.2 mttt -99.91 123.03 43.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.152 -0.968 . . . . 0.0 111.297 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.3 t-80 87.86 28.77 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.091 0.472 . . . . 0.0 110.901 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -170.8 123.55 0.63 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.207 -0.933 . . . . 0.0 109.157 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -109.78 142.59 40.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.836 0.827 . . . . 0.0 110.883 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -97.15 167.6 10.95 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -57.97 -39.6 78.57 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.5 p -60.07 -38.18 82.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 108.769 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.0 -34.55 73.47 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 108.731 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.24 -42.16 76.02 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -67.06 -40.0 86.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.167 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.53 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 87.8 tt0 -60.01 -43.06 95.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.039 -1.038 . . . . 0.0 109.535 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.93 -42.94 90.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.595 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' B' ' 39' ' ' GLU . 85.9 mt -62.15 -42.65 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 109.337 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -60.05 -45.36 93.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.817 -1.177 . . . . 0.0 109.466 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.74 -43.06 20.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.518 -0.739 . . . . 0.0 110.767 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' B' ' 36' ' ' ILE . 23.3 tp10 -113.48 165.01 12.9 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.399 -0.813 . . . . 0.0 110.327 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp 61.15 21.4 11.83 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.859 . . . . 0.0 110.397 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 62.2 m -64.01 -45.75 87.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.943 -1.098 . . . . 0.0 109.406 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -81.47 -24.33 36.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.38 0.02 44.56 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.276 -0.89 . . . . 0.0 110.099 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.63 134.05 7.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.06 -1.025 . . . . 0.0 108.897 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 42.6 mp0 -72.34 140.94 48.77 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.277 -0.89 . . . . 0.0 109.51 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.71 136.92 58.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.971 . . . . 0.0 108.721 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -106.88 120.05 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.532 -0.73 . . . . 0.0 109.3 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -96.36 -12.88 23.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.4 mp0 -99.86 118.74 36.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.217 -0.927 . . . . 0.0 109.66 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.15 -39.19 93.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.303 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -53.6 -35.53 60.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 109.666 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.01 -36.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.002 -1.061 . . . . 0.0 108.379 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.95 -40.05 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.683 -0.636 . . . . 0.0 109.285 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -59.92 -40.37 88.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.357 -0.839 . . . . 0.0 110.18 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.81 -44.42 96.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.036 -1.04 . . . . 0.0 108.974 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.99 -41.83 79.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.24 -0.913 . . . . 0.0 109.678 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.4 ttt -60.22 -47.61 85.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.986 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -41.1 91.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.921 -1.112 . . . . 0.0 109.149 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.03 95.25 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 109.466 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.32 -40.5 67.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.57 94.45 0.99 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.67 -1.269 . . . . 0.0 110.688 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.0 mp0 -60.05 -40.02 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.093 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -82.53 -15.26 53.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.259 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.98 29.86 70.46 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -76.39 -0.08 21.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.205 -1.174 . . . . 0.0 110.517 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.26 2.12 66.19 Favored Glycine 0 N--CA 1.491 2.34 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.264 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -139.97 159.99 40.94 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.3 t -106.89 108.37 19.85 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.929 -1.107 . . . . 0.0 109.058 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -70.12 -178.81 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.274 -0.891 . . . . 0.0 110.148 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.06 -49.89 75.86 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.495 0.664 . . . . 0.0 109.67 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -59.48 -52.16 66.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 109.639 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.96 -44.31 94.51 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.684 -1.26 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -47.18 -42.57 20.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.44 ' O ' ' N ' ' B' ' 77' ' ' VAL . 97.2 mmm -70.02 -39.98 75.49 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.99 -12.88 0.93 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.947 -1.095 . . . . 0.0 110.202 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.86 -30.03 16.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' B' ' 74' ' ' MET . 54.6 t -66.4 -39.98 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.72 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 82.9 p -71.35 -50.39 32.79 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.024 -1.047 . . . . 0.0 110.2 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.7 ttt -54.26 -40.04 67.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.959 -1.088 . . . . 0.0 108.635 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 45.8 t -69.91 -33.45 55.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 0.0 109.16 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.6 p -70.48 -51.86 26.07 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.061 -1.024 . . . . 0.0 108.701 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.56 -39.81 24.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.772 . . . . 0.0 109.515 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.9 m -56.28 140.06 46.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.232 -0.918 . . . . 0.0 109.327 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -60.52 138.47 58.02 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.316 -0.865 . . . . 0.0 109.741 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -74.96 140.02 43.38 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.298 -0.876 . . . . 0.0 109.364 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 60.3 t80 50.07 69.97 0.55 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.539 ' CD2' ' O ' ' B' ' 89' ' ' GLU . 63.7 t80 -62.43 140.03 58.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 108.941 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 19.4 pt-20 -80.04 150.04 30.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.148 -0.97 . . . . 0.0 110.121 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' B' ' 89' ' ' GLU . 17.0 m80 53.67 100.07 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.194 -0.941 . . . . 0.0 109.386 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.298 -1.649 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.414 -179.783 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.256 0.55 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.04 -35.77 75.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.208 -0.933 . . . . 0.0 110.33 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.578 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -67.49 -33.23 74.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.706 -1.246 . . . . 0.0 109.861 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.13 -44.24 95.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.052 -1.03 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.82 -38.89 86.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.338 -0.851 . . . . 0.0 110.275 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.27 78.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.83 -45.0 75.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.973 -1.079 . . . . 0.0 109.728 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.13 -40.61 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.162 -0.961 . . . . 0.0 110.229 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.15 95.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.826 -1.171 . . . . 0.0 110.381 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.25 -45.91 91.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 110.152 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.22 -51.05 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.935 -1.103 . . . . 0.0 109.188 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.01 -41.48 92.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.847 . . . . 0.0 109.431 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.94 -41.51 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 109.432 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -63.72 -58.62 6.31 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 111.123 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -60.17 -40.24 89.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.998 -1.064 . . . . 0.0 111.774 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.13 -41.12 74.34 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.385 -1.447 . . . . 0.0 109.829 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.475 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 48.7 t80 -74.64 -41.33 60.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.805 . . . . 0.0 109.602 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -70.05 -21.37 63.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.473 -0.767 . . . . 0.0 109.506 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 22.72 15.77 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 75.5 ttt-85 -71.21 -39.99 71.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.264 -1.139 . . . . 0.0 109.438 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.8 mm-40 -108.05 160.01 16.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.537 -0.727 . . . . 0.0 109.644 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.76 -16.59 0.13 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.2 m-20 -85.98 107.43 17.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.006 -1.291 . . . . 0.0 109.41 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 88.7 tttt -100.22 125.92 46.45 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.391 -0.818 . . . . 0.0 110.408 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 4.4 t-80 77.86 41.58 0.13 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.487 0.661 . . . . 0.0 109.849 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 27' ' ' LEU . 33.5 tptt -160.96 120.15 2.59 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.5 mm? -97.64 113.43 25.17 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.155 -0.966 . . . . 0.0 110.061 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 32' ' ' LEU . 58.9 tttp -87.5 160.37 18.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.644 -0.66 . . . . 0.0 109.283 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -55.63 -49.96 71.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 109.641 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 t -61.02 -39.99 91.86 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.96 -1.088 . . . . 0.0 108.253 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -69.89 -31.47 69.29 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 28' ' ' LYS . 59.9 tp -69.98 -40.41 75.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.573 -0.705 . . . . 0.0 109.104 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -63.54 -39.81 95.38 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 88.2 tt0 -60.35 -44.97 95.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.109 -0.995 . . . . 0.0 110.442 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 6.5 tt -60.09 -49.66 76.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.336 -0.852 . . . . 0.0 110.778 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 40' ' ' LEU . 91.2 mt -60.42 -49.82 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.981 -1.074 . . . . 0.0 109.894 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.21 -40.71 94.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.42 -0.8 . . . . 0.0 111.227 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -85.16 -57.35 3.12 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.821 -1.174 . . . . 0.0 112.023 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -80.11 -70.2 0.54 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.834 -1.166 . . . . 0.0 111.564 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 36' ' ' ILE . 79.9 mt -91.37 86.08 5.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.866 -1.146 . . . . 0.0 110.622 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -136.35 -21.03 1.38 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.675 -0.641 . . . . 0.0 109.364 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.01 -14.72 62.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.235 -0.916 . . . . 0.0 110.305 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -104.19 -18.55 14.45 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.098 -1.001 . . . . 0.0 109.303 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.68 149.88 33.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -159.9 26.55 0.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.69 -1.72 58.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.191 -0.943 . . . . 0.0 110.23 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.8 mt -94.53 119.4 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -137.9 -28.15 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.529 -0.732 . . . . 0.0 109.286 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 47.0 tp10 -101.44 139.4 37.16 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.37 -0.831 . . . . 0.0 109.185 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.89 -40.13 87.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.93 -1.107 . . . . 0.0 109.605 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 16.1 tm-20 -50.28 -32.56 17.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.482 -0.761 . . . . 0.0 108.973 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.35 -37.17 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.899 . . . . 0.0 108.986 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.21 -41.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.484 -0.76 . . . . 0.0 109.087 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.19 -45.43 93.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.457 -0.777 . . . . 0.0 110.72 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.72 -44.94 95.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.1 t -69.25 -40.33 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.507 -0.746 . . . . 0.0 109.336 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.5 ttt -63.16 -41.86 99.33 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.48 -0.763 . . . . 0.0 110.025 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.29 -46.17 90.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 109.186 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -67.95 -39.9 83.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.408 -0.808 . . . . 0.0 108.87 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.81 -45.87 91.98 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.555 -0.716 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -68.29 104.59 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.59 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 tp10 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -92.26 -9.62 41.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.087 -1.008 . . . . 0.0 110.866 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.72 30.92 75.01 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -70.98 -3.41 19.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.138 -1.213 . . . . 0.0 110.521 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.08 71.96 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 120.852 -1.155 . . . . 0.0 110.913 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -140.88 160.46 40.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.315 . . . . 0.0 108.168 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.7 m -104.75 111.58 24.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.923 -1.111 . . . . 0.0 109.747 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.01 -176.97 1.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.978 0.894 . . . . 0.0 110.602 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.63 -49.95 75.47 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.628 0.728 . . . . 0.0 109.85 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -58.85 -52.31 66.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 0.0 109.827 -177.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -60.04 -43.2 95.49 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.706 -1.246 . . . . 0.0 108.129 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -50.08 -39.81 43.62 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.7 mmm -68.1 -28.36 67.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.382 -0.823 . . . . 0.0 109.164 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.77 -56.22 14.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.108 -0.995 . . . . 0.0 108.624 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -51.08 -40.09 57.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.33 -45.12 96.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 81' ' ' THR . 60.1 p -63.56 -44.35 94.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.269 -0.894 . . . . 0.0 109.379 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 83' ' ' ALA . 60.2 ttm -49.41 -42.51 42.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.937 . . . . 0.0 108.988 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.74 -31.14 51.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 78' ' ' SER . 35.8 m -78.31 -47.77 17.08 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -70.96 -14.75 62.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.443 -0.786 . . . . 0.0 109.377 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.41 -40.6 97.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.337 -0.852 . . . . 0.0 109.221 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.4 m -78.68 81.23 5.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.263 -0.898 . . . . 0.0 109.004 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.44 -39.94 89.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.886 . . . . 0.0 109.475 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 58.9 mp0 -65.06 140.1 58.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.213 -0.929 . . . . 0.0 109.903 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -64.34 130.36 43.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.179 -0.951 . . . . 0.0 109.461 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.455 -0.778 . . . . 0.0 109.641 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 40.95 -129.98 0.43 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.7 -0.625 . . . . 0.0 110.602 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -144.81 152.17 39.91 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.967 -1.083 . . . . 0.0 109.09 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--N 1.3 -1.552 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.298 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.71 -35.86 75.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.135 -0.978 . . . . 0.0 110.363 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.58 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.9 mm? -67.44 -32.85 73.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.588 -1.32 . . . . 0.0 109.796 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.46 -44.58 95.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 109.562 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -60.22 -39.44 86.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.733 . . . . 0.0 110.197 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.52 77.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.26 -0.9 . . . . 0.0 109.822 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.68 -44.74 77.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 109.978 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.53 -40.3 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.11 -0.994 . . . . 0.0 110.099 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.17 95.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 110.248 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.27 -46.2 90.65 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.1 -51.19 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.993 -1.067 . . . . 0.0 109.527 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.05 -40.88 90.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.333 -0.854 . . . . 0.0 109.427 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -41.58 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.204 -0.935 . . . . 0.0 109.507 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -64.19 -58.41 6.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.321 -0.862 . . . . 0.0 110.903 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -59.93 -40.13 87.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.0 -1.062 . . . . 0.0 111.76 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -70.12 -41.04 74.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.367 -1.458 . . . . 0.0 110.184 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.475 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 50.0 t80 -74.76 -41.85 59.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.692 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -70.01 -20.89 63.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.439 -0.788 . . . . 0.0 109.432 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.6 22.06 18.94 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 76.2 ttt-85 -70.96 -40.17 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -1.156 . . . . 0.0 109.482 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -107.96 159.92 16.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.477 -0.764 . . . . 0.0 109.564 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.65 -15.59 0.16 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' B' ' 21' ' ' GLU . 99.2 m-20 -86.05 107.26 17.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.079 -1.248 . . . . 0.0 109.209 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 88.2 tttt -100.08 125.72 46.2 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.239 -0.913 . . . . 0.0 110.566 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 4.7 t-80 77.75 41.69 0.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.539 0.685 . . . . 0.0 109.882 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.45 ' C ' HD22 ' B' ' 27' ' ' LEU . 33.3 tptt -160.89 120.22 2.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.556 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.4 mm? -97.31 113.82 25.51 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.101 -0.999 . . . . 0.0 110.051 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' B' ' 32' ' ' LEU . 58.5 tttp -87.8 160.36 18.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.643 -0.661 . . . . 0.0 109.453 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' B' ' 28' ' ' LYS . 74.0 tttt -55.83 -49.83 72.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 109.53 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -61.09 -39.69 90.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.945 -1.097 . . . . 0.0 108.343 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -70.02 -31.72 69.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.599 0.714 . . . . 0.0 109.077 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 28' ' ' LYS . 59.9 tp -70.08 -40.17 75.15 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -63.57 -40.23 96.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.07 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 87.7 tt0 -59.97 -45.37 92.9 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.249 -0.907 . . . . 0.0 110.386 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.6 tt -59.96 -49.06 79.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.269 -0.894 . . . . 0.0 110.737 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' B' ' 40' ' ' LEU . 94.1 mt -61.05 -50.09 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.799 -1.188 . . . . 0.0 109.829 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.21 -40.12 92.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 111.265 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -85.61 -57.27 3.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.752 -1.218 . . . . 0.0 112.05 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.9 -70.27 0.53 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 111.594 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' B' ' 36' ' ' ILE . 82.0 mt -91.53 86.26 5.98 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.894 -1.129 . . . . 0.0 110.615 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.6 p -136.45 -21.47 1.34 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.88 -14.69 62.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.286 -0.884 . . . . 0.0 110.475 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.13 -17.4 14.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.123 -0.986 . . . . 0.0 109.308 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 pp -148.75 149.76 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.164 -0.96 . . . . 0.0 109.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -159.9 27.02 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -89.94 -1.86 58.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.296 -0.878 . . . . 0.0 110.285 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.7 mt -94.48 119.83 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.036 . . . . 0.0 109.671 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -138.31 -27.64 0.87 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.483 -0.761 . . . . 0.0 109.291 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -101.67 139.15 37.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.409 -0.807 . . . . 0.0 109.063 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.02 -40.19 88.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.884 -1.135 . . . . 0.0 109.533 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -49.71 -32.53 13.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.489 -0.757 . . . . 0.0 109.026 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.29 -37.41 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 108.777 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.1 -41.34 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.413 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.44 -45.76 92.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.539 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -45.71 93.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.965 -1.084 . . . . 0.0 108.948 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.63 -40.44 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.671 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.2 ttt -63.27 -41.76 99.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 110.04 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 109.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.17 -39.82 82.44 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.25 -47.11 87.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.589 -0.695 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -67.55 104.79 1.66 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.949 . . . . 0.0 110.812 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -60.21 -43.85 95.63 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -91.8 -10.04 41.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.18 -0.95 . . . . 0.0 110.925 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 30.87 74.73 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 40.9 p-10 -70.54 -3.46 18.15 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.183 -1.186 . . . . 0.0 110.386 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.59 -10.18 70.73 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.967 -1.083 . . . . 0.0 111.008 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -140.31 160.65 39.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.934 -1.333 . . . . 0.0 108.199 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -104.77 111.71 24.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.738 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -71.2 -177.16 1.64 Allowed 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.985 0.897 . . . . 0.0 110.646 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.62 -49.87 75.79 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.465 0.65 . . . . 0.0 109.92 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.9 -52.34 66.15 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.813 -177.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -59.94 -43.14 95.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.635 -1.291 . . . . 0.0 108.153 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -50.23 -39.37 44.31 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -68.6 -28.5 66.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 109.223 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.69 -56.0 16.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.122 -0.986 . . . . 0.0 108.675 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -51.38 -40.01 58.33 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.42 -45.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 81' ' ' THR . 79.7 p -63.74 -43.81 95.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.405 ' O ' ' N ' ' B' ' 83' ' ' ALA . 60.3 ttm -49.4 -42.08 41.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 108.954 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.05 -31.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 78' ' ' SER . 30.8 m -78.51 -47.12 17.99 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.4 p -71.33 -14.77 62.31 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.238 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -62.84 -40.47 97.54 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.1 m -78.3 82.08 4.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.338 -0.851 . . . . 0.0 108.881 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -67.46 -40.13 85.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.217 -0.927 . . . . 0.0 109.219 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' B' ' 86' ' ' GLU . 58.1 mp0 -64.48 140.09 58.83 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.407 -0.808 . . . . 0.0 109.73 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -64.51 130.29 43.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 0.0 109.393 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.24 -39.89 88.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.405 -0.81 . . . . 0.0 109.624 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 41.11 -129.69 0.45 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.684 -0.635 . . . . 0.0 110.638 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -145.42 151.78 38.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.985 -1.072 . . . . 0.0 109.119 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 C--N 1.301 -1.538 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.464 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -38.25 81.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.382 -0.824 . . . . 0.0 110.593 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.33 -33.39 74.21 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.011 -1.056 . . . . 0.0 109.49 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.28 -40.46 93.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.95 -1.094 . . . . 0.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -39.9 87.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.6 94.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.292 -0.88 . . . . 0.0 109.177 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.5 ttm -62.73 -51.22 68.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.238 -0.914 . . . . 0.0 109.901 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.1 -40.7 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.576 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.91 93.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.906 -1.121 . . . . 0.0 109.471 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.01 -45.9 91.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.314 -0.867 . . . . 0.0 110.496 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.98 -47.81 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.751 -1.218 . . . . 0.0 108.872 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.27 -40.03 80.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.432 -0.792 . . . . 0.0 109.07 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.36 -41.27 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 0.0 109.88 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.05 -54.98 39.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.793 -1.192 . . . . 0.0 110.383 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.02 -40.55 89.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 112.497 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.86 -39.99 79.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.298 -1.501 . . . . 0.0 110.495 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.8 -41.33 62.51 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 110.072 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -80.06 -21.02 43.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.005 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.61 15.55 60.07 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -87.37 -54.91 4.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.006 -1.291 . . . . 0.0 109.225 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 65.3 mm-40 -150.21 160.09 43.94 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 -158.36 44.43 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.55 137.98 58.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.489 -1.006 . . . . 0.0 109.616 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.68 -40.01 80.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 111.01 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.71 -21.11 15.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.214 . . . . 0.0 111.645 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -107.41 149.68 27.62 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.1 -1.0 . . . . 0.0 110.625 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 2.5 mm? -97.11 125.14 41.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.544 -0.723 . . . . 0.0 110.321 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -84.53 160.18 20.55 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' SER . 1.3 ptpm? -53.36 -42.17 66.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.647 -1.283 . . . . 0.0 109.845 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 91.2 p -64.04 -38.05 89.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 108.982 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 42.4 mt-10 -68.69 -39.74 80.38 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.886 0.85 . . . . 0.0 108.911 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 32' ' ' LEU . 5.8 tt -67.06 -44.84 79.11 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.33 -40.18 93.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 0.0 109.449 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.591 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 86.8 tt0 -60.09 -43.91 95.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.366 -0.834 . . . . 0.0 109.791 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' HA ' HD22 ' A' ' 38' ' ' ASN . 34.1 tp -59.94 -43.77 94.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.409 -0.807 . . . . 0.0 109.724 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' LEU . 84.2 mt -60.04 -49.08 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.088 -1.007 . . . . 0.0 110.229 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -60.35 -40.34 90.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.857 . . . . 0.0 111.151 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 34' ' ' GLU . 25.1 p30 -91.43 -27.44 18.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.026 -1.046 . . . . 0.0 111.264 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.458 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 6.1 tp10 -89.99 -76.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.797 -1.189 . . . . 0.0 110.594 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 40' ' ' LEU . 9.7 mp -81.59 130.26 34.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 110.293 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 8.2 p -129.75 -58.05 1.1 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.553 -0.717 . . . . 0.0 109.464 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.566 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -85.5 -1.96 57.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.936 -1.103 . . . . 0.0 110.438 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -98.38 -1.62 41.12 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.126 -0.984 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -143.35 150.06 38.62 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.272 -0.892 . . . . 0.0 108.815 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.42 -80.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.779 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -171.41 135.89 0.97 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.083 -1.011 . . . . 0.0 109.78 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mm -83.01 108.88 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.385 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -89.61 -74.71 0.47 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.225 -0.922 . . . . 0.0 110.17 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.67 144.24 25.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -68.68 -28.8 67.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.318 -0.864 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.31 -30.09 49.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.186 -0.946 . . . . 0.0 108.731 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.92 -35.2 63.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.16 -41.05 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.568 -0.708 . . . . 0.0 109.173 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 109.224 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.07 -46.67 88.78 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.94 -40.58 89.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.474 -0.766 . . . . 0.0 109.504 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.5 mtp -66.32 -41.93 88.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 110.218 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.154 -0.966 . . . . 0.0 109.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -69.38 -40.01 77.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.423 -0.798 . . . . 0.0 109.353 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.6 -40.81 72.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.687 . . . . 0.0 110.226 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 62.5 t0 -67.32 105.58 1.81 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.296 -0.877 . . . . 0.0 110.277 -178.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.07 -40.06 78.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.457 -0.777 . . . . 0.0 110.146 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 7.4 p-10 -90.1 -10.99 42.63 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.008 -1.057 . . . . 0.0 110.772 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.27 29.54 70.18 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.67 -1.252 . . . . 0.0 110.189 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 p-10 -76.28 -1.7 27.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.041 -1.27 . . . . 0.0 110.012 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.34 3.46 89.86 Favored Glycine 0 N--CA 1.494 2.539 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.843 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -138.62 159.45 42.08 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.145 -1.209 . . . . 0.0 108.136 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -97.97 104.86 16.93 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.866 -1.146 . . . . 0.0 108.759 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.06 169.86 7.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.928 0.87 . . . . 0.0 111.217 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.98 -47.26 86.55 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.528 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 26.4 mp0 -59.1 -55.23 37.67 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.54 -0.864 . . . . 0.0 108.753 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.7 mt-10 -59.99 -44.38 94.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.963 -1.086 . . . . 0.0 108.259 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.35 -38.28 18.84 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.55 -29.34 67.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 108.921 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.93 -55.23 20.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.66 -40.05 62.48 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.72 -45.06 98.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 81' ' ' THR . 87.2 p -66.59 -44.57 81.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.3 -0.875 . . . . 0.0 110.121 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 83' ' ' ALA . 67.9 mtt -50.28 -42.99 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.076 -1.015 . . . . 0.0 108.976 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.15 -30.46 47.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 78' ' ' SER . 34.0 m -83.15 -49.21 9.71 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 m -72.09 -19.96 61.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.859 -0.526 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -80.03 -69.91 0.56 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.977 -1.077 . . . . 0.0 109.56 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.6 m -60.16 139.9 57.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.323 -0.861 . . . . 0.0 109.002 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 86' ' ' GLU . 51.0 t-80 -54.85 175.73 0.05 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.057 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 99.2 mt-10 -63.97 124.45 21.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.096 -1.003 . . . . 0.0 108.773 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -93.73 100.48 12.69 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.084 -1.01 . . . . 0.0 109.136 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -70.07 161.88 29.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.247 -0.908 . . . . 0.0 109.662 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.64 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 1.7 pm0 -59.89 134.08 56.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.287 -0.883 . . . . 0.0 109.807 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -148.19 149.98 32.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 0.0 109.388 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.143 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.406 0.622 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.01 -37.85 80.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 110.465 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.52 -33.46 74.16 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.026 -1.047 . . . . 0.0 109.45 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.18 -40.35 94.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.155 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.02 -39.95 87.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.705 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.11 93.78 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.255 -0.903 . . . . 0.0 109.073 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.1 ttm -62.53 -51.2 68.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.13 -0.982 . . . . 0.0 110.04 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.02 -40.54 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.362 -0.836 . . . . 0.0 110.485 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.911 -1.118 . . . . 0.0 109.472 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -45.86 91.37 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.857 . . . . 0.0 110.45 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.03 -47.7 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.673 -1.267 . . . . 0.0 108.938 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.42 ' OD2' ' OE1' ' A' ' 89' ' ' GLU . 62.8 t0 -58.22 -40.1 80.8 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.049 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.58 -41.03 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 0.0 109.846 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.03 -55.09 38.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.685 -1.259 . . . . 0.0 110.317 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.05 -40.51 89.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 112.488 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.71 -40.05 80.16 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.306 -1.496 . . . . 0.0 110.629 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.99 -41.34 62.08 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.109 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -80.05 -21.05 43.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.93 -1.106 . . . . 0.0 111.01 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.54 15.63 59.76 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -87.5 -54.42 4.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.965 -1.315 . . . . 0.0 109.254 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 65.0 mm-40 -150.53 159.94 44.14 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.54 -158.54 45.4 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.96 138.22 58.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -1.054 . . . . 0.0 109.637 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -69.0 -39.93 79.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.348 -0.845 . . . . 0.0 110.871 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -100.76 -20.78 15.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.802 -1.186 . . . . 0.0 111.708 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.73 149.54 28.04 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.03 -1.044 . . . . 0.0 110.647 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 2.8 mm? -96.94 125.43 41.37 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.566 -0.709 . . . . 0.0 110.18 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.09 160.12 20.04 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 30' ' ' SER . 1.3 ptpm? -53.29 -42.38 66.53 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.634 -1.291 . . . . 0.0 109.847 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 96.0 p -63.8 -38.11 89.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.111 -0.993 . . . . 0.0 108.931 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' B' ' 21' ' ' GLU . 43.4 mt-10 -68.74 -39.7 80.19 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.912 0.863 . . . . 0.0 108.963 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.613 HD23 ' O ' ' B' ' 32' ' ' LEU . 5.9 tt -67.2 -44.2 80.18 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.349 0.595 . . . . 0.0 109.405 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.85 -40.25 94.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.312 -0.867 . . . . 0.0 109.408 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.59 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 87.0 tt0 -60.08 -43.76 95.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.455 -0.778 . . . . 0.0 109.796 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.514 ' HA ' HD22 ' B' ' 38' ' ' ASN . 32.4 tp -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.288 -0.883 . . . . 0.0 109.638 -178.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.94 -48.75 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 110.292 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.38 -40.58 91.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.362 -0.836 . . . . 0.0 111.202 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' B' ' 34' ' ' GLU . 24.9 p30 -91.35 -27.5 18.33 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.054 -1.029 . . . . 0.0 111.234 -178.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 6.1 tp10 -90.02 -76.8 0.41 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.836 -1.165 . . . . 0.0 110.572 -178.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 40' ' ' LEU . 9.7 mp -81.68 130.41 35.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.237 -0.915 . . . . 0.0 110.184 -178.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 13.2 p -130.0 -57.76 1.09 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.52 -0.737 . . . . 0.0 109.43 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.563 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 0.0 OUTLIER -85.09 -2.24 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.912 -1.117 . . . . 0.0 110.393 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -98.26 -1.59 41.55 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.007 -1.058 . . . . 0.0 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.45 150.0 38.38 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.254 -0.904 . . . . 0.0 108.886 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.17 -80.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 109.86 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -171.08 136.19 1.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 109.814 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.36 108.78 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.86 -74.97 0.46 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 110.007 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.48 144.13 25.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.029 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.76 -28.53 66.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.267 -0.896 . . . . 0.0 109.189 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.48 -29.97 51.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.08 -1.012 . . . . 0.0 108.822 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.98 -35.05 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.13 -41.16 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.568 -0.708 . . . . 0.0 109.286 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.335 -0.853 . . . . 0.0 109.143 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.0 -46.8 88.28 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.96 -40.34 88.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.535 -0.728 . . . . 0.0 109.553 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mtp -66.46 -42.04 88.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.325 -0.859 . . . . 0.0 110.113 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.75 -46.25 91.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 109.222 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -69.28 -40.01 78.03 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.34 -42.06 72.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.583 -0.698 . . . . 0.0 110.183 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 62.8 t0 -66.79 105.79 1.68 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.155 -0.966 . . . . 0.0 110.357 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.99 -39.95 79.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.286 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 7.6 p-10 -90.11 -10.92 42.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.093 -1.004 . . . . 0.0 110.796 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 70.19 29.32 70.5 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 119.66 -1.257 . . . . 0.0 110.251 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.5 p-10 -76.01 -2.24 29.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.0 -1.294 . . . . 0.0 109.935 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.0 4.75 89.7 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.278 -0.963 . . . . 0.0 110.823 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -139.07 159.29 42.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.135 -1.215 . . . . 0.0 107.929 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.2 t -97.84 104.87 16.93 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.825 -1.172 . . . . 0.0 108.684 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.37 170.32 7.53 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 122.007 0.908 . . . . 0.0 111.206 -178.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.96 -47.17 86.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.523 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 26.5 mp0 -59.12 -55.3 36.81 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.815 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.1 mt-10 -60.0 -44.48 94.53 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -48.56 -37.89 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.9 tpt -68.98 -28.81 66.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.335 -0.853 . . . . 0.0 109.078 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.5 -54.83 22.73 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -52.96 -39.91 63.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.61 -45.1 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.405 ' O ' ' N ' ' B' ' 81' ' ' THR . 84.2 p -66.4 -44.76 82.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.324 -0.86 . . . . 0.0 110.048 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 83' ' ' ALA . 68.4 mtt -50.44 -42.99 54.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.149 -0.969 . . . . 0.0 108.989 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.18 -30.22 47.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' B' ' 78' ' ' SER . 36.3 m -83.15 -49.39 9.53 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -71.98 -20.02 61.79 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.781 -0.574 . . . . 0.0 110.821 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -79.93 -70.09 0.54 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.505 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.2 m -60.01 139.75 57.23 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 109.006 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.425 ' ND1' ' N ' ' B' ' 86' ' ' GLU . 51.7 t-80 -55.09 175.58 0.06 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.921 . . . . 0.0 109.001 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.425 ' N ' ' ND1' ' B' ' 85' ' ' HIS . 99.9 mt-10 -63.78 124.83 22.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.043 -1.036 . . . . 0.0 108.748 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -94.11 100.38 12.49 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.1 -1.0 . . . . 0.0 109.177 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.0 161.56 29.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 109.736 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.618 ' CD ' ' H ' ' B' ' 89' ' ' GLU . 1.7 pm0 -59.8 133.96 56.58 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.382 -0.823 . . . . 0.0 109.746 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -148.1 149.95 32.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.336 -0.853 . . . . 0.0 109.361 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.264 179.818 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.304 0.573 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.86 -37.63 79.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.41 -0.806 . . . . 0.0 110.412 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.98 -32.43 70.64 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.818 -1.176 . . . . 0.0 109.581 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -61.13 -41.94 97.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.01 -38.94 84.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.568 -0.708 . . . . 0.0 110.051 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.76 95.21 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.97 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 36.7 tpp -61.37 -50.02 74.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.498 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -40.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.505 -0.747 . . . . 0.0 110.265 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.4 92.32 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.873 -1.142 . . . . 0.0 109.173 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.87 -48.22 82.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 110.075 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.473 ' CG2' ' OE1' ' B' ' 86' ' ' GLU . 92.3 mt -59.94 -52.23 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.881 -1.137 . . . . 0.0 109.914 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.04 -39.9 87.52 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.13 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.01 -41.55 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.589 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.63 -56.71 15.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.971 -1.08 . . . . 0.0 110.343 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -42.94 95.27 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.563 -0.71 . . . . 0.0 112.16 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.04 -41.1 74.67 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.29 -1.506 . . . . 0.0 110.149 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.3 t80 -71.77 -48.69 44.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.52 -0.737 . . . . 0.0 109.656 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.6 p -70.22 -20.15 63.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.478 -0.763 . . . . 0.0 110.225 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.33 19.84 33.46 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -86.23 -51.38 6.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.846 -1.385 . . . . 0.0 108.979 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -140.81 148.17 40.17 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.27 179.76 20.6 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -62.01 -59.88 4.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.939 -1.33 . . . . 0.0 109.484 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -171.86 -64.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.103 -0.998 . . . . 0.0 111.103 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.407 ' ND1' ' C ' ' A' ' 25' ' ' HIS . 3.7 p80 -110.9 17.05 20.9 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.084 -1.01 . . . . 0.0 111.071 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -107.9 129.31 55.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.17 -0.956 . . . . 0.0 109.107 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.0 mt -102.42 127.35 49.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.379 -0.826 . . . . 0.0 109.87 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -95.35 167.1 11.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.471 -0.768 . . . . 0.0 109.091 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -56.72 -41.04 76.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.891 -1.131 . . . . 0.0 110.149 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.2 p -63.94 -35.05 79.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.909 -1.12 . . . . 0.0 108.812 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.97 -31.76 69.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.614 -0.679 . . . . 0.0 109.253 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.85 -40.49 75.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -0.8 . . . . 0.0 109.722 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.59 -40.13 93.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.266 -0.896 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.01 -46.21 90.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 109.932 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.553 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 62.9 tp -60.19 -46.33 90.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.572 -0.705 . . . . 0.0 109.846 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -61.16 -42.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.108 -0.995 . . . . 0.0 109.528 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -69.9 -39.93 75.91 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.889 -1.132 . . . . 0.0 111.015 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -76.1 -58.02 3.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.89 -1.131 . . . . 0.0 112.61 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.6 mt-10 -84.4 -95.98 0.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.854 -1.153 . . . . 0.0 112.927 -176.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 36' ' ' ILE . 80.5 mt -61.42 129.37 40.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.296 -0.877 . . . . 0.0 110.907 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -147.7 -49.8 0.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.154 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.83 -19.96 62.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.48 -0.763 . . . . 0.0 109.999 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -99.3 1.13 44.28 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.21 -0.931 . . . . 0.0 110.184 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.3 mt -133.01 151.43 52.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.302 -0.874 . . . . 0.0 109.407 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -77.08 144.7 38.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -63.9 139.52 58.78 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.977 -1.077 . . . . 0.0 109.146 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -97.94 121.07 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.526 -0.734 . . . . 0.0 109.569 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -103.26 -28.24 12.0 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.352 -0.843 . . . . 0.0 110.151 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 88.3 tt0 -121.45 134.14 55.08 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.268 -0.895 . . . . 0.0 110.394 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' VAL . 9.7 mp0 -60.6 -39.26 87.46 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 109.866 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 86.2 tt0 -45.93 -32.22 2.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.485 -0.759 . . . . 0.0 109.075 -179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.13 -32.9 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.353 -0.842 . . . . 0.0 108.785 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' GLN . 94.9 t -68.49 -41.04 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.541 -0.725 . . . . 0.0 109.218 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.74 . . . . 0.0 109.718 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.86 -42.17 98.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 108.788 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.9 -41.75 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.733 . . . . 0.0 110.308 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.5 mmm -62.66 -41.82 99.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.201 -0.937 . . . . 0.0 110.124 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.14 -43.96 95.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.192 -0.943 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.11 75.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.47 -0.769 . . . . 0.0 110.565 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 tp -70.6 -43.46 69.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.079 -1.013 . . . . 0.0 111.713 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -67.43 103.98 1.43 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.925 -1.11 . . . . 0.0 110.538 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.64 -40.06 95.92 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.461 -0.774 . . . . 0.0 110.157 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.93 59.42 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.918 -1.134 . . . . 0.0 110.611 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -79.92 -2.99 46.2 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.98 -1.306 . . . . 0.0 111.008 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 5.54 85.27 Favored Glycine 0 N--CA 1.497 2.735 0 O-C-N 120.761 -1.212 . . . . 0.0 111.347 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -139.87 161.05 38.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.923 -1.339 . . . . 0.0 107.981 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.23 108.25 19.2 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -75.54 -178.5 4.14 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.004 0.907 . . . . 0.0 110.81 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.71 -48.9 79.71 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.387 0.613 . . . . 0.0 110.159 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? -60.05 -56.54 20.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 109.988 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 75' ' ' ALA . 99.3 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.657 -1.277 . . . . 0.0 108.301 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -45.96 -40.78 10.8 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 75.9 mtp -70.43 -28.87 65.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' SER . . . -63.21 -59.94 4.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.838 -1.163 . . . . 0.0 109.056 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -49.62 -39.92 37.44 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.15 -40.07 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' ALA . 22.9 t -72.75 -50.18 26.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.455 -0.778 . . . . 0.0 110.86 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.6 ttp -53.98 -40.36 66.82 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.706 -1.246 . . . . 0.0 109.538 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -70.06 -27.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.302 -0.874 . . . . 0.0 108.66 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.447 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 38.8 m -68.84 -44.18 73.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.53 -0.731 . . . . 0.0 109.143 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.6 m -68.41 -54.14 19.1 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.89 -41.5 11.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 109.567 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.2 t -73.34 110.98 8.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.932 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -81.36 168.46 18.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 110.028 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HG3' ' H ' ' A' ' 88' ' ' PHE . 22.4 tp10 -57.91 133.18 55.23 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.624 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 50.8 p90 -100.9 -1.41 34.66 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.461 -0.774 . . . . 0.0 109.928 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.624 ' CE2' ' CZ ' ' A' ' 87' ' ' PHE . 49.0 m-85 -87.47 119.86 28.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.1 -1.0 . . . . 0.0 109.273 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 62.19 -5.07 0.18 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.677 -0.639 . . . . 0.0 109.755 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.522 ' H ' ' C ' ' A' ' 88' ' ' PHE . 59.7 m80 48.54 23.18 0.57 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.953 -1.092 . . . . 0.0 109.692 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--N 1.299 -1.62 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.044 179.249 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.382 0.61 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -37.49 79.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.415 -0.803 . . . . 0.0 110.45 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -70.05 -32.51 70.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.824 -1.173 . . . . 0.0 109.407 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.93 . . . . 0.0 109.421 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.2 -38.71 84.16 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.643 -0.661 . . . . 0.0 109.836 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.35 94.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 108.91 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.447 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 35.3 tpp -61.81 -49.99 74.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.938 . . . . 0.0 109.49 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.03 -40.04 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 110.139 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.435 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -59.89 -41.53 91.8 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.855 -1.153 . . . . 0.0 109.275 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.96 -48.49 81.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.312 -0.868 . . . . 0.0 110.029 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.454 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 84.7 mt -60.1 -51.87 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.85 -1.156 . . . . 0.0 109.87 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.99 -40.06 87.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 109.134 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 9' ' ' ALA . 59.2 t -70.01 -41.52 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.808 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.88 -56.7 14.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.026 -1.046 . . . . 0.0 110.349 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -60.03 -43.01 95.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.402 -0.811 . . . . 0.0 112.185 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -69.94 -40.93 75.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.275 -1.516 . . . . 0.0 110.314 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.549 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 58.4 t80 -72.16 -48.46 43.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.675 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.25 -20.29 63.08 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.763 . . . . 0.0 110.113 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.35 20.13 32.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -85.95 -51.39 6.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.859 -1.377 . . . . 0.0 109.124 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -141.05 148.23 39.89 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.56 179.48 20.51 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.0 -60.04 4.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.979 -1.307 . . . . 0.0 109.427 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -171.5 -64.91 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.025 -1.047 . . . . 0.0 111.202 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.405 ' ND1' ' C ' ' B' ' 25' ' ' HIS . 3.4 p80 -110.77 16.94 21.07 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.085 -1.009 . . . . 0.0 111.128 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -107.88 129.13 55.1 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.198 -0.939 . . . . 0.0 109.269 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -102.4 127.01 49.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.345 -0.847 . . . . 0.0 109.942 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -95.5 166.93 11.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.457 -0.777 . . . . 0.0 109.24 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -56.59 -41.07 76.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.002 -1.061 . . . . 0.0 110.178 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -63.79 -35.36 80.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.893 -1.129 . . . . 0.0 108.83 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.06 -31.52 69.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.86 -40.75 75.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 109.646 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -61.49 -40.28 93.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.238 -0.914 . . . . 0.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.84 -46.32 89.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.254 -0.904 . . . . 0.0 109.981 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.549 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.7 tp -60.47 -45.67 92.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.461 -0.775 . . . . 0.0 110.047 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -61.55 -42.47 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -69.74 -40.05 76.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.016 -1.053 . . . . 0.0 110.938 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -76.26 -57.9 3.6 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.954 -1.092 . . . . 0.0 112.602 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.491 ' OE1' HD11 ' B' ' 35' ' ' LEU . 99.3 mt-10 -84.43 -96.18 0.06 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.805 -1.184 . . . . 0.0 112.751 -176.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' B' ' 36' ' ' ILE . 76.8 mt -61.33 129.28 40.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.233 -0.917 . . . . 0.0 110.958 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -147.43 -49.75 0.18 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 0.0 109.101 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.74 -20.02 62.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.444 -0.785 . . . . 0.0 109.971 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -99.15 0.77 44.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.174 -0.954 . . . . 0.0 110.124 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 78.7 mt -132.35 151.16 51.97 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.353 -0.842 . . . . 0.0 109.476 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -77.01 144.59 38.57 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.86 139.7 58.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 109.173 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 94.0 mt -98.19 121.22 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.433 -0.792 . . . . 0.0 109.57 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -103.55 -28.35 11.8 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.374 -0.829 . . . . 0.0 110.213 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 86.9 tt0 -120.88 134.43 55.29 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.267 -0.895 . . . . 0.0 110.456 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 9.7 mp0 -61.13 -38.76 87.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.443 -0.786 . . . . 0.0 109.855 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.435 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 87.1 tt0 -46.1 -32.19 2.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.549 -0.72 . . . . 0.0 109.182 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.07 -32.89 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 108.854 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 94.8 t -68.29 -41.19 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.222 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.14 -40.15 88.81 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.456 -0.778 . . . . 0.0 109.734 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.8 -42.38 98.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.63 -41.86 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.605 -0.684 . . . . 0.0 110.409 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 90.5 mmm -62.73 -42.02 99.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -0.9 . . . . 0.0 110.126 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.08 -43.95 95.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.304 -0.872 . . . . 0.0 108.657 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -69.99 -40.14 75.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.78 . . . . 0.0 110.722 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.7 tp -70.17 -44.7 68.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.177 -0.952 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -66.36 103.68 1.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 110.729 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.12 -40.36 97.39 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.404 -0.81 . . . . 0.0 108.836 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.101 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.84 32.01 59.51 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.976 -1.107 . . . . 0.0 110.582 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -79.97 -2.93 46.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.968 -1.313 . . . . 0.0 111.02 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.57 5.29 85.91 Favored Glycine 0 N--CA 1.495 2.629 0 O-C-N 120.77 -1.206 . . . . 0.0 111.327 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -140.07 160.89 38.92 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.962 -1.316 . . . . 0.0 107.932 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 84.0 m -108.01 108.33 19.4 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.853 -1.154 . . . . 0.0 109.304 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -75.75 -178.48 4.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.908 0.861 . . . . 0.0 110.851 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.62 -48.86 79.92 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.416 0.627 . . . . 0.0 110.067 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -59.91 -56.66 19.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 110.076 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.72 -1.237 . . . . 0.0 108.281 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -45.83 -40.75 10.24 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.417 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 73.9 mtp -70.38 -29.28 65.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.325 -0.859 . . . . 0.0 109.589 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 78' ' ' SER . . . -63.15 -60.04 3.96 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.913 -1.117 . . . . 0.0 109.019 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -49.51 -40.05 36.39 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.02 -40.05 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.492 ' N ' ' O ' ' B' ' 75' ' ' ALA . 21.1 t -72.5 -50.32 26.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.483 -0.761 . . . . 0.0 110.92 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 50.6 ttp -54.34 -40.22 67.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.669 -1.269 . . . . 0.0 109.551 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.96 -27.83 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.45 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 33.4 m -68.89 -44.02 74.08 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.555 -0.716 . . . . 0.0 109.272 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -68.51 -53.96 19.86 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -41.54 11.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.52 -0.738 . . . . 0.0 109.687 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.1 t -73.4 111.03 8.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.336 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -81.27 168.42 18.48 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.339 -0.851 . . . . 0.0 109.997 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.473 ' OE1' ' CG2' ' A' ' 11' ' ' ILE . 22.5 tp10 -57.71 133.42 55.33 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.619 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 51.2 p90 -101.15 -1.83 32.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.432 -0.793 . . . . 0.0 109.707 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CE2' ' CZ ' ' B' ' 87' ' ' PHE . 50.9 m-85 -87.08 119.88 27.76 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.046 -1.033 . . . . 0.0 109.324 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 62.33 -5.04 0.19 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.617 -0.677 . . . . 0.0 109.704 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' B' ' 88' ' ' PHE . 59.9 m80 48.33 23.29 0.55 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.975 -1.078 . . . . 0.0 109.747 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 . . . . . 0 C--N 1.3 -1.584 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.072 179.373 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.525 0.678 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -34.74 77.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.415 -0.803 . . . . 0.0 110.968 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.414 HD23 ' OE2' ' B' ' 39' ' ' GLU . 60.2 tp -70.09 -34.45 73.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.104 . . . . 0.0 109.316 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.71 -41.8 98.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.401 -0.812 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.39 -39.87 88.86 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.098 -1.001 . . . . 0.0 109.369 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.33 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.956 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.9 ttm -59.89 -50.53 73.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.381 -0.824 . . . . 0.0 109.169 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.2 t -57.89 -37.72 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.512 -0.742 . . . . 0.0 109.288 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.74 93.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.711 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.19 -48.36 82.06 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.115 -0.991 . . . . 0.0 110.803 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.36 -50.25 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.669 -1.269 . . . . 0.0 109.319 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -59.94 -42.93 95.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.307 -0.871 . . . . 0.0 109.209 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.71 -39.92 76.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.558 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.93 -57.94 5.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.076 . . . . 0.0 110.456 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -59.93 -40.29 88.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.961 . . . . 0.0 111.436 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -69.6 -39.87 76.99 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.267 -1.521 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.481 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 41.4 t80 -75.78 -46.38 31.02 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.325 -0.859 . . . . 0.0 110.35 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -73.1 -21.47 60.75 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.026 -1.046 . . . . 0.0 110.446 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.58 23.34 13.05 Favored Glycine 0 N--CA 1.496 2.654 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.624 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 mtm105 -83.53 -41.75 17.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.922 -1.34 . . . . 0.0 109.803 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.1 tt0 -176.74 151.79 0.93 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 91.8 64.68 1.14 Allowed Glycine 0 N--CA 1.499 2.9 0 C-N-CA 119.744 -1.217 . . . . 0.0 111.659 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' GLY . 94.4 m-20 54.96 100.16 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.144 -1.209 . . . . 0.0 109.481 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 8.3 mtpm? -53.74 137.66 37.24 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 109.226 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 8.4 t60 76.42 42.53 0.17 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.447 0.641 . . . . 0.0 109.937 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -161.09 123.99 3.21 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 27' ' ' LEU . 4.1 mm? -95.99 115.71 27.84 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.714 -1.241 . . . . 0.0 110.526 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.93 166.56 12.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.621 -0.674 . . . . 0.0 109.303 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.58 -40.0 68.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.23 -0.919 . . . . 0.0 110.376 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -68.14 -33.95 75.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.921 -1.112 . . . . 0.0 110.113 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 73.4 mt-10 -69.95 -30.23 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.62 -39.88 73.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.455 0.645 . . . . 0.0 109.909 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -63.97 -42.81 97.14 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.37 -45.4 72.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.159 -0.963 . . . . 0.0 109.574 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 41.7 tp -60.31 -49.98 75.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 109.385 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.43 -49.95 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.609 -0.682 . . . . 0.0 110.105 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.19 -40.8 97.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.534 -0.729 . . . . 0.0 110.539 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -85.3 -31.49 23.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.228 -0.92 . . . . 0.0 110.707 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' LEU . 38.6 tp10 -84.7 -76.45 0.31 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.303 -0.873 . . . . 0.0 111.198 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.59 129.85 39.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.004 -1.06 . . . . 0.0 109.596 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -117.54 -72.51 0.68 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.451 -0.78 . . . . 0.0 109.161 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.621 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 13.8 p80 -91.54 6.31 46.13 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.009 -1.057 . . . . 0.0 109.091 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.621 ' CZ ' ' CE1' ' A' ' 42' ' ' HIS . 66.2 m-85 -98.79 -3.12 36.32 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.435 HD13 ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -137.84 137.26 37.96 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.408 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' H ' HD13 ' A' ' 44' ' ' LEU . 85.7 tt0 -60.98 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.941 -1.099 . . . . 0.0 109.325 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -160.31 119.94 2.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.855 -1.153 . . . . 0.0 109.113 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.6 mt -97.64 118.79 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.227 -0.921 . . . . 0.0 109.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.21 -23.55 12.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.681 -0.637 . . . . 0.0 109.574 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -108.67 136.55 48.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.353 -0.842 . . . . 0.0 110.507 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.16 -31.05 69.44 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 109.526 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -57.17 -30.55 64.6 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.513 -0.742 . . . . 0.0 109.085 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.3 t -68.6 -34.01 62.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.5 t -69.74 -41.76 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.15 89.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.58 -50.07 75.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 108.804 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.8 -40.97 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.694 -0.629 . . . . 0.0 109.426 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.445 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 1.4 tpt -59.97 -43.17 95.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -60.49 -40.18 90.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.112 -0.993 . . . . 0.0 108.608 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -66.1 -39.97 90.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.488 -0.757 . . . . 0.0 109.422 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.2 -40.29 74.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.252 -0.905 . . . . 0.0 109.667 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 56.1 t0 -70.15 89.43 0.64 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 110.717 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.96 -25.1 63.47 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.218 -0.926 . . . . 0.0 108.876 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.49 -10.54 34.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.408 -0.807 . . . . 0.0 110.984 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.51 18.51 71.86 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 88.7 m-20 -68.11 -9.71 48.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.453 -1.028 . . . . 0.0 110.107 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 86.21 -17.69 36.47 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -129.8 164.97 22.93 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.322 -1.105 . . . . 0.0 109.145 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.445 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 82.4 m -103.52 109.33 20.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.147 -0.971 . . . . 0.0 109.583 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.2 t70 -69.8 177.14 3.2 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.998 0.904 . . . . 0.0 111.122 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.532 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.7 t80 -60.25 -48.55 81.28 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.7 -54.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 75' ' ' ALA . 41.1 mt-10 -60.02 -46.71 88.61 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.116 -0.99 . . . . 0.0 108.353 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -45.23 -38.82 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.7 tpp -67.68 -27.8 67.15 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.343 -0.848 . . . . 0.0 109.059 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -59.97 -57.5 12.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.223 -0.923 . . . . 0.0 108.623 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -55.54 -39.6 70.78 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.18 -44.91 96.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.7 p -66.72 -42.84 85.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.02 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.51 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -56.22 -42.53 77.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.193 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.52 -31.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.125 -0.984 . . . . 0.0 108.663 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.6 m -80.56 -48.62 12.46 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.794 0.807 . . . . 0.0 108.956 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -72.3 -17.57 61.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.679 -0.638 . . . . 0.0 110.264 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -76.06 -41.78 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.004 -1.06 . . . . 0.0 109.725 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 92.4 m -86.44 134.73 33.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.259 -0.901 . . . . 0.0 110.591 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -81.32 170.17 16.36 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -48.15 113.65 0.78 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.581 -1.325 . . . . 0.0 109.707 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -105.28 -21.08 13.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.424 -0.798 . . . . 0.0 110.741 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 33.1 p90 -80.33 104.0 10.58 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.888 -1.133 . . . . 0.0 109.994 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -108.48 124.98 51.27 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.209 -0.932 . . . . 0.0 108.968 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.665 ' CG ' ' H ' ' A' ' 91' ' ' GLU . 22.0 t-80 52.67 -136.49 1.36 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 108.683 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.665 ' H ' ' CG ' ' A' ' 90' ' ' HIS . 57.8 mm-40 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.315 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.391 0.615 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.67 -33.77 76.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.517 -0.739 . . . . 0.0 110.639 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.5 tp -70.11 -34.2 72.81 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.059 -1.025 . . . . 0.0 109.232 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.72 -42.24 98.68 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.898 . . . . 0.0 109.464 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.97 -40.13 88.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.241 -0.912 . . . . 0.0 109.19 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.59 73.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.9 ttm -60.59 -50.91 71.65 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.885 0.85 . . . . 0.0 109.424 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.69 -37.9 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.62 -0.675 . . . . 0.0 109.299 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.05 93.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.079 -1.013 . . . . 0.0 109.931 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.56 -48.4 81.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.266 -0.896 . . . . 0.0 110.414 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.1 mt -60.13 -50.28 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.854 -1.154 . . . . 0.0 109.743 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.07 -43.02 95.74 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.165 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.41 -39.94 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.479 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -66.96 -58.08 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.964 -1.085 . . . . 0.0 110.558 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -60.09 -39.99 88.07 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.199 -0.938 . . . . 0.0 111.585 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.62 -39.61 77.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.267 -1.52 . . . . 0.0 109.693 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.502 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 42.3 t80 -75.83 -46.89 28.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.203 -0.936 . . . . 0.0 110.39 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.3 t -72.76 -21.33 61.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.56 23.22 13.28 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 121.016 -1.053 . . . . 0.0 110.587 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtm105 -83.0 -41.89 18.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.957 -1.319 . . . . 0.0 109.947 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.1 tt0 -176.91 151.68 0.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.638 -0.664 . . . . 0.0 109.735 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 91.73 66.04 1.14 Allowed Glycine 0 N--CA 1.499 2.871 0 O-C-N 120.947 -1.096 . . . . 0.0 111.511 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 22' ' ' GLY . 94.4 m-20 54.09 101.56 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.173 . . . . 0.0 109.533 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 9.0 mtpm? -54.43 137.69 41.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.331 -0.855 . . . . 0.0 109.28 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 8.6 t60 76.01 43.95 0.15 Allowed 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.463 0.649 . . . . 0.0 109.659 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.409 ' C ' HD22 ' B' ' 27' ' ' LEU . 34.8 tptt -162.1 124.16 2.82 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.516 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.9 mm? -96.45 114.73 26.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.194 . . . . 0.0 110.546 -178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.17 166.26 12.42 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -54.13 -40.03 67.02 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.205 -0.934 . . . . 0.0 110.473 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -68.2 -33.88 75.24 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.987 -1.07 . . . . 0.0 110.258 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 72.4 mt-10 -69.84 -30.36 67.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 108.769 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.12 -39.89 71.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.696 -0.627 . . . . 0.0 109.926 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -63.75 -41.67 97.96 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.356 -0.84 . . . . 0.0 109.586 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -45.1 69.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.207 -0.933 . . . . 0.0 109.493 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.502 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 45.9 tp -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.362 -0.837 . . . . 0.0 109.524 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -61.4 -50.16 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.487 -0.758 . . . . 0.0 110.343 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.04 -40.34 95.41 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.761 . . . . 0.0 110.621 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -84.68 -33.13 23.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.275 -0.891 . . . . 0.0 110.489 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 35' ' ' LEU . 36.8 tp10 -83.89 -77.04 0.27 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.427 -0.796 . . . . 0.0 111.421 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -70.89 128.93 37.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 109.747 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 78.5 p -116.32 -72.97 0.66 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.454 -0.779 . . . . 0.0 109.151 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.613 ' NE2' ' CE2' ' B' ' 43' ' ' PHE . 12.6 p80 -91.08 6.72 43.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 109.332 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.613 ' CE2' ' NE2' ' B' ' 42' ' ' HIS . 66.3 m-85 -99.2 -2.63 36.25 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.87 137.44 38.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.07 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -160.01 119.84 2.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.008 -1.057 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.4 mt -97.87 118.09 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.116 -0.99 . . . . 0.0 109.447 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.69 -23.06 12.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.475 -0.766 . . . . 0.0 109.47 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.94 136.7 48.04 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.329 -0.857 . . . . 0.0 110.559 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.02 -31.59 70.5 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.612 0.72 . . . . 0.0 109.448 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -56.21 -30.9 62.94 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.571 -0.706 . . . . 0.0 109.195 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -68.92 -33.81 61.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.89 -41.74 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.53 -40.44 91.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 0.0 109.706 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.43 -49.93 75.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.194 -0.941 . . . . 0.0 108.597 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.62 -41.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.609 -0.682 . . . . 0.0 109.725 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.425 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 1.7 tpt -60.08 -42.51 94.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.318 -0.864 . . . . 0.0 110.187 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.5 -40.29 94.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.076 -1.015 . . . . 0.0 108.655 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -65.51 -39.8 92.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.51 -0.744 . . . . 0.0 109.476 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' B' ' 76' ' ' PHE . 6.8 mp -70.35 -41.38 73.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.469 -0.769 . . . . 0.0 109.614 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 55.6 t0 -69.26 89.75 0.48 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.093 -1.004 . . . . 0.0 110.72 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.0 -24.6 63.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 108.911 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.03 -10.06 34.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.33 -0.856 . . . . 0.0 110.929 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.87 17.49 71.49 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.513 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 87.6 m-20 -68.13 -9.2 44.76 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.332 -1.099 . . . . 0.0 110.083 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.465 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.99 -16.12 39.49 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -130.24 164.97 23.38 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.305 -1.115 . . . . 0.0 108.993 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 93.1 m -103.57 108.9 20.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.16 -0.962 . . . . 0.0 109.497 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.0 t70 -69.79 177.59 3.0 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.887 0.851 . . . . 0.0 111.112 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 63.0 t80 -60.25 -49.01 79.31 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.66 0.743 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -59.57 -54.0 51.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.438 -0.789 . . . . 0.0 109.252 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' B' ' 75' ' ' ALA . 41.0 mt-10 -60.02 -46.68 88.7 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.052 -1.03 . . . . 0.0 108.384 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -45.03 -38.05 4.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 52.6 tpp -68.36 -27.93 66.69 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.381 -0.824 . . . . 0.0 109.166 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.04 -56.9 15.99 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.413 ' CD1' HD21 ' B' ' 60' ' ' LEU . 90.1 t80 -56.21 -39.49 72.55 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.34 -44.41 95.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.2 p -67.11 -43.12 83.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 110.055 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.508 ' O ' ' N ' ' B' ' 83' ' ' ALA . 28.0 ttt -56.47 -41.68 76.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.461 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.0 -31.35 49.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.15 -0.969 . . . . 0.0 108.456 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.5 m -80.65 -49.62 11.0 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.721 0.772 . . . . 0.0 108.99 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -71.65 -17.34 62.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.809 -0.557 . . . . 0.0 110.199 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.94 -42.57 48.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.2 m -85.54 133.72 34.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.447 -0.783 . . . . 0.0 110.941 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -80.73 169.34 17.73 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -47.47 114.19 0.84 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.577 -1.327 . . . . 0.0 109.578 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -105.67 -20.58 13.41 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.396 -0.815 . . . . 0.0 110.948 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.559 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 32.2 p90 -81.01 104.31 11.42 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.787 -1.195 . . . . 0.0 109.857 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -109.11 124.24 50.47 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.261 -0.899 . . . . 0.0 108.678 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.663 ' CG ' ' H ' ' B' ' 91' ' ' GLU . 22.0 t-80 53.27 -136.57 1.34 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.0 108.715 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.663 ' H ' ' CG ' ' B' ' 90' ' ' HIS . 56.2 mm-40 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.234 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.95 -35.11 74.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.231 -0.918 . . . . 0.0 110.003 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.0 -32.78 71.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.116 . . . . 0.0 110.718 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -62.61 -45.64 91.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.799 -1.188 . . . . 0.0 109.622 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -61.43 -38.05 85.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.312 -0.868 . . . . 0.0 110.685 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.17 -48.48 81.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.513 -178.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.4 -43.14 86.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.015 -1.053 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.014 -1.054 . . . . 0.0 110.118 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.19 -44.47 96.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.079 -1.013 . . . . 0.0 109.681 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.09 -51.31 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.798 -1.189 . . . . 0.0 109.772 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.99 -43.84 94.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.128 -0.982 . . . . 0.0 109.196 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -39.92 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -0.795 . . . . 0.0 109.869 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -64.14 -59.94 3.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.502 ' NE2' ' OE2' ' B' ' 86' ' ' GLU . 73.8 m80 -61.31 -40.88 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.98 -1.075 . . . . 0.0 112.043 -177.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -70.1 -41.33 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.185 -1.572 . . . . 0.0 109.468 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.7 t80 -73.07 -44.01 61.15 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.588 0.708 . . . . 0.0 109.232 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -73.11 -23.13 60.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.698 -0.626 . . . . 0.0 110.349 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.37 23.4 15.63 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -83.48 -44.19 14.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.973 -1.31 . . . . 0.0 108.746 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -148.83 156.0 41.72 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.331 -0.856 . . . . 0.0 109.712 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.89 -171.7 55.15 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -80.32 150.27 29.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -1.049 . . . . 0.0 109.608 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 68.1 mttm -74.1 136.29 42.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 0.0 109.987 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 27.1 t-80 93.73 -15.29 0.12 Allowed 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 123.135 0.574 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.52 116.31 31.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.235 -0.916 . . . . 0.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -94.78 120.07 34.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.11 -0.994 . . . . 0.0 109.443 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -91.04 163.22 14.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.566 -0.708 . . . . 0.0 109.312 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.0 -44.89 83.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.076 -1.015 . . . . 0.0 110.268 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 t -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.853 -1.155 . . . . 0.0 108.705 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.14 -36.08 79.12 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -69.99 -41.21 74.71 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.906 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.9 -40.0 96.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.253 -0.904 . . . . 0.0 109.536 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.95 -43.54 94.96 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.839 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.525 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 64.0 tp -59.93 -41.69 92.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 0.0 109.765 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.66 -40.1 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.0 109.698 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -80.03 -19.84 46.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.544 -0.723 . . . . 0.0 110.754 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -57.89 -56.95 15.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 111.616 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.99 -6.16 0.68 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.649 -1.282 . . . . 0.0 110.278 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -90.74 123.02 33.99 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.93 -1.106 . . . . 0.0 109.171 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -159.64 -28.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.249 -0.907 . . . . 0.0 110.087 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -68.92 -24.43 64.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.136 -0.977 . . . . 0.0 109.493 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -99.38 -17.37 18.03 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.393 -0.817 . . . . 0.0 109.85 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.0 mt -140.22 110.82 6.76 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' GLU . 86.0 tt0 -109.83 -29.04 8.48 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.409 -0.807 . . . . 0.0 109.442 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' GLU . 78.4 mm-40 -61.03 -129.68 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.351 -0.843 . . . . 0.0 109.717 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.2 mt 49.02 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.072 -1.018 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -103.77 -16.39 15.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.268 -0.895 . . . . 0.0 109.159 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 84.0 tt0 -123.12 144.93 49.0 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -59.97 -35.42 74.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.042 -1.036 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 86.7 tt0 -54.34 -30.27 50.94 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.032 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.31 -33.71 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.0 108.722 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.48 -42.42 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.37 -0.831 . . . . 0.0 108.854 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 48.0 t0 -60.05 -42.67 94.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.015 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.72 -42.63 97.64 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.15 -0.969 . . . . 0.0 108.659 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.24 -39.93 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.489 -0.757 . . . . 0.0 109.103 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 96.0 mmm -65.25 -40.7 94.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.752 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -61.0 -48.02 83.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.178 -0.951 . . . . 0.0 109.53 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -68.86 -40.19 79.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.2 tp -72.12 -40.08 68.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.487 -0.758 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' MET . 45.3 t0 -80.73 54.63 2.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 110.746 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.26 -38.91 84.97 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 2.9 p-10 -59.65 -34.77 73.25 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.957 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 87.79 87.88 1.13 Allowed Glycine 0 N--CA 1.488 2.118 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 82.2 m-20 -147.17 -30.08 0.35 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.558 -0.966 . . . . 0.0 110.855 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.42 -13.78 61.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -137.35 160.5 38.9 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 t -100.78 107.14 18.64 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.762 -1.212 . . . . 0.0 109.437 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 173.01 4.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 111.111 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.07 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.535 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 4.0 mp0 -58.38 -52.82 64.01 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.757 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 75' ' ' ALA . 82.1 mt-10 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 63.2 t80 -47.25 -39.2 13.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -69.72 -25.78 64.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.306 -0.871 . . . . 0.0 108.816 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -66.3 -56.4 11.34 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.04 -39.18 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 73' ' ' PHE . 54.8 t -60.06 -45.48 95.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -65.9 -42.13 90.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.487 -0.758 . . . . 0.0 109.602 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 83' ' ' ALA . 64.9 mmm -55.72 -41.24 73.58 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.742 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.6 m -84.45 -49.95 8.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.625 0.726 . . . . 0.0 109.437 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -70.89 -19.15 62.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.668 -0.645 . . . . 0.0 110.091 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -75.53 -40.64 56.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.12 -0.987 . . . . 0.0 109.474 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 76.4 m -71.17 129.09 38.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.835 . . . . 0.0 109.953 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -80.01 168.25 19.42 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.372 -0.83 . . . . 0.0 108.82 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.533 ' OE2' ' NE2' ' B' ' 15' ' ' HIS . 99.4 mt-10 -68.04 108.68 3.17 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.995 -1.066 . . . . 0.0 109.61 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -95.49 -12.8 25.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.269 -0.894 . . . . 0.0 109.178 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -89.95 9.09 29.13 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.346 -0.846 . . . . 0.0 109.297 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 90' ' ' HIS . 49.3 tp10 -93.67 -19.17 21.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.828 . . . . 0.0 108.848 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' A' ' 89' ' ' GLU . 93.5 m-70 46.53 98.39 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.421 -0.8 . . . . 0.0 110.518 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.484 179.623 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.89 -35.03 74.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 0.0 109.864 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.02 -32.78 71.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.852 -1.155 . . . . 0.0 110.689 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -62.62 -45.87 90.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.812 -1.18 . . . . 0.0 109.564 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.97 -38.11 84.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.266 -0.896 . . . . 0.0 110.82 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.92 -48.87 79.95 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.572 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.21 -43.14 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.065 -1.022 . . . . 0.0 110.175 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.08 -40.03 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.95 87.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.031 -1.043 . . . . 0.0 110.222 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.19 -44.36 96.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.92 -51.45 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.751 -1.218 . . . . 0.0 109.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.98 -43.67 94.97 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.195 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.16 -39.93 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 0.0 109.873 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -64.48 -59.91 3.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.349 -0.845 . . . . 0.0 110.775 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.533 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 73.4 m80 -61.19 -40.95 95.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 112.035 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -70.27 -40.89 74.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.197 -1.564 . . . . 0.0 109.544 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 61.2 t80 -73.22 -43.97 60.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.633 0.73 . . . . 0.0 109.275 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.6 t -73.18 -23.17 60.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.69 -0.632 . . . . 0.0 110.328 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.23 23.38 15.18 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -83.37 -44.17 15.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.954 -1.321 . . . . 0.0 108.824 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -148.86 156.01 41.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.334 -0.853 . . . . 0.0 109.595 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.86 -171.85 55.18 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.27 150.53 29.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -1.05 . . . . 0.0 109.591 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 68.4 mttm -74.4 136.8 42.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 0.0 109.882 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.534 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 24.9 t-80 93.7 -15.35 0.12 Allowed 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 123.111 0.564 . . . . 0.0 110.581 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.71 116.28 31.42 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.924 . . . . 0.0 109.775 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.8 mm? -94.67 120.18 34.48 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.157 -0.965 . . . . 0.0 109.381 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -90.98 163.43 14.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.622 -0.674 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.01 -44.9 83.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.091 -1.005 . . . . 0.0 110.362 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.2 t -60.64 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.902 -1.124 . . . . 0.0 108.825 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.02 -36.28 79.67 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.94 -41.2 74.88 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.891 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.77 -40.0 95.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.672 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -43.49 95.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.432 -0.792 . . . . 0.0 109.741 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.53 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.5 tp -59.99 -41.91 93.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.628 -179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.35 -40.23 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.21 -0.931 . . . . 0.0 109.747 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.94 -19.89 46.94 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.464 -0.772 . . . . 0.0 110.72 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.07 -56.89 16.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.116 -0.99 . . . . 0.0 111.515 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -144.76 -6.33 0.69 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.74 -1.225 . . . . 0.0 110.461 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.6 tp -90.81 123.18 34.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.955 -1.09 . . . . 0.0 109.21 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -159.48 -29.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.291 -0.881 . . . . 0.0 110.204 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -68.73 -24.34 64.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.068 -1.02 . . . . 0.0 109.501 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -99.5 -17.4 17.92 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.809 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.26 110.82 6.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.234 -0.916 . . . . 0.0 109.066 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 46' ' ' GLU . 85.8 tt0 -109.85 -29.09 8.45 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.328 -0.858 . . . . 0.0 109.477 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 45' ' ' GLU . 78.1 mm-40 -60.97 -129.4 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.345 -0.847 . . . . 0.0 109.686 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mt 48.95 63.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -103.84 -16.22 15.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.208 -0.932 . . . . 0.0 109.144 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 83.7 tt0 -123.14 144.75 49.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.95 -35.11 74.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.963 -1.086 . . . . 0.0 109.176 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 86.7 tt0 -54.74 -30.26 55.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.305 -0.872 . . . . 0.0 108.91 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.44 -33.56 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 108.667 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.75 -42.07 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.386 -0.821 . . . . 0.0 108.856 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 48.8 t0 -60.08 -42.87 95.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.48 -0.763 . . . . 0.0 109.971 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.61 -42.81 97.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.14 -0.975 . . . . 0.0 108.526 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -40.0 83.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.532 -0.73 . . . . 0.0 109.071 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.3 mmm -65.23 -40.94 94.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.426 -0.796 . . . . 0.0 109.739 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -60.81 -47.89 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.15 -0.969 . . . . 0.0 109.552 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.09 -40.33 78.46 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.77 -40.74 69.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.567 -0.708 . . . . 0.0 109.844 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -80.35 54.86 2.1 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.22 -38.59 83.84 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 2.9 p-10 -59.8 -34.77 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.928 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 87.79 87.78 1.13 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 82.7 m-20 -146.89 -30.41 0.35 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.455 -1.027 . . . . 0.0 110.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.86 -13.99 61.46 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -137.19 160.98 37.44 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.19 107.23 18.57 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.873 -1.142 . . . . 0.0 109.372 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.79 173.15 4.58 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.367 -0.833 . . . . 0.0 111.146 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.06 -49.95 75.63 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.445 0.64 . . . . 0.0 109.374 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' B' ' 71' ' ' GLN . 4.0 mp0 -58.4 -52.76 64.26 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.356 -0.937 . . . . 0.0 108.778 -179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 75' ' ' ALA . 84.5 mt-10 -60.07 -46.58 89.09 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -47.17 -39.39 13.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -69.81 -25.58 63.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 108.898 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -66.73 -55.74 13.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.44 -39.14 67.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.0 -45.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -65.98 -42.14 90.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.591 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 83' ' ' ALA . 66.1 mmm -55.87 -41.05 73.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 108.746 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.12 -30.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -84.38 -49.95 8.24 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.622 0.725 . . . . 0.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -71.11 -19.25 62.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.16 -41.07 58.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.449 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 88.7 m -70.86 128.88 37.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 110.016 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.1 168.09 19.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 0.0 108.831 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.502 ' OE2' ' NE2' ' A' ' 15' ' ' HIS . 99.4 mt-10 -67.8 108.75 3.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.982 -1.074 . . . . 0.0 109.571 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -95.59 -12.81 25.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.244 -0.91 . . . . 0.0 109.181 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -89.85 8.88 29.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -0.876 . . . . 0.0 109.242 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' B' ' 90' ' ' HIS . 49.1 tp10 -93.6 -19.08 21.51 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.39 -0.819 . . . . 0.0 108.929 179.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' B' ' 89' ' ' GLU . 93.9 m-70 46.71 98.26 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.454 -0.779 . . . . 0.0 110.539 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.472 179.545 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.71 -30.41 70.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.861 -1.15 . . . . 0.0 109.518 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 3' ' ' LEU . 7.9 mp -70.7 -32.18 69.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.181 -0.95 . . . . 0.0 109.509 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 8' ' ' VAL . 85.5 tt0 -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.078 -1.014 . . . . 0.0 108.683 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.58 -40.19 84.84 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 109.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.34 82.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 109.786 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.519 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 23.6 tpp -64.81 -52.52 56.37 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.12 0.962 . . . . 0.0 108.582 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 4' ' ' GLU . 74.7 t -59.74 -40.0 81.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.649 -0.657 . . . . 0.0 109.815 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.35 93.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.032 -1.042 . . . . 0.0 109.498 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.57 -49.42 77.61 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.205 -0.934 . . . . 0.0 111.502 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.86 -49.3 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.77 -40.99 85.56 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.47 -41.35 78.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 110.031 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.07 -58.49 5.93 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.924 -1.11 . . . . 0.0 111.092 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.5 -40.53 87.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 111.02 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -68.32 -39.84 81.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.347 -1.471 . . . . 0.0 108.02 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.495 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 64.6 t80 -73.21 -41.04 64.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.566 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -69.48 -18.69 63.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.36 22.99 20.8 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -80.29 -47.16 14.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.757 -1.437 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -150.86 147.25 27.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 -169.8 50.91 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -73.45 147.95 43.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.499 -1.0 . . . . 0.0 109.261 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 96.7 mttt -70.1 140.02 52.63 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.595 -0.691 . . . . 0.0 110.045 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.0 t60 78.33 39.13 0.15 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.713 . . . . 0.0 109.359 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.87 109.51 3.43 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -97.22 116.36 29.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.639 -1.288 . . . . 0.0 109.787 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -87.17 160.95 18.32 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -57.54 -41.09 80.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.907 -1.121 . . . . 0.0 109.387 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -64.19 -39.66 94.44 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 108.688 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -69.73 -37.22 76.43 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.426 1.108 . . . . 0.0 108.687 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.82 -41.51 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.56 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 50.9 tp10 -64.21 -44.35 92.19 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.046 -1.034 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.0 tt -59.9 -48.77 80.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.407 -0.808 . . . . 0.0 110.522 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.0 mt -60.58 -46.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.247 -0.908 . . . . 0.0 109.266 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.17 -43.45 98.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.034 -1.041 . . . . 0.0 110.895 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 90.6 m-20 -81.26 -46.83 14.2 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.809 -1.182 . . . . 0.0 111.757 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -88.03 -74.96 0.43 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.784 -1.198 . . . . 0.0 111.279 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 36' ' ' ILE . 61.6 tp -85.32 93.5 8.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.781 -1.2 . . . . 0.0 110.319 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -145.46 -33.5 0.35 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.294 -0.879 . . . . 0.0 109.012 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -68.81 -19.01 64.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.601 -0.687 . . . . 0.0 110.932 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.6 -15.36 13.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.119 -0.988 . . . . 0.0 109.823 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.7 tp -140.0 140.83 36.34 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.281 -0.887 . . . . 0.0 108.629 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -125.08 -109.41 0.32 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.577 -0.702 . . . . 0.0 110.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 47.29 -142.35 0.43 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.327 -0.858 . . . . 0.0 109.885 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 47' ' ' ILE . 87.7 mt 49.87 70.0 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.16 -0.963 . . . . 0.0 110.397 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -107.44 -12.32 15.33 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.152 -0.968 . . . . 0.0 109.661 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 88.3 tt0 -136.1 150.69 49.22 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.228 -0.92 . . . . 0.0 109.595 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.97 . . . . 0.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 76.9 mm-40 -57.05 -32.64 66.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.848 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.4 -35.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.738 -1.226 . . . . 0.0 107.73 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.88 -40.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.04 -40.87 90.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.421 -0.799 . . . . 0.0 109.863 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -67.03 -50.99 60.31 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 118.884 -1.127 . . . . 0.0 108.725 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -63.31 -43.34 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.657 -0.652 . . . . 0.0 110.429 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.61 -49.45 76.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.181 -0.949 . . . . 0.0 109.608 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -40.69 92.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.052 -1.03 . . . . 0.0 109.129 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.2 m -66.99 -40.07 87.29 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.63 HD23 ' C ' ' A' ' 60' ' ' LEU . 7.4 tt -59.71 -46.78 88.05 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.718 . . . . 0.0 109.149 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' A' ' 57' ' ' MET . 99.3 m-20 -62.52 100.01 0.17 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 110.533 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.46 -39.91 89.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.481 -0.762 . . . . 0.0 109.573 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -95.7 -1.64 49.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.487 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 23.85 74.71 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 119.148 -1.501 . . . . 0.0 110.279 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 34.4 p-10 -66.32 -8.24 23.93 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.059 -1.26 . . . . 0.0 109.61 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -22.18 11.7 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -121.31 175.88 5.92 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.355 -1.085 . . . . 0.0 108.407 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.9 t -113.39 103.47 11.33 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-O 121.93 0.871 . . . . 0.0 109.065 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.25 169.03 12.93 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.136 0.969 . . . . 0.0 110.863 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.567 0.699 . . . . 0.0 109.192 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -59.94 -56.87 16.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 108.947 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.6 mt-10 -59.9 -40.99 90.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.004 . . . . 0.0 108.545 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -48.76 -40.84 30.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -65.53 -34.12 77.51 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.189 -0.944 . . . . 0.0 108.994 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.78 -55.03 34.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.8 -39.23 71.02 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.71 -45.34 97.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 81' ' ' THR . 70.9 m -66.6 -43.52 84.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.346 -0.846 . . . . 0.0 109.192 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 83' ' ' ALA . 55.6 ttm -50.81 -40.53 55.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.07 . . . . 0.0 108.885 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.64 -26.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 78' ' ' SER . 4.6 m -82.59 -50.92 8.26 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.439 0.637 . . . . 0.0 109.364 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.422 ' CG2' HE22 ' B' ' 71' ' ' GLN . 30.6 p -72.46 -19.55 61.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.458 -0.777 . . . . 0.0 110.266 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -74.79 -47.48 30.6 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.905 -1.122 . . . . 0.0 109.444 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.3 -1.546 0 O-C-N 121.697 -0.627 . . . . 0.0 109.349 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.89 -30.65 70.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.663 -1.273 . . . . 0.0 109.59 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.649 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.1 mp -70.44 -32.23 69.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.146 -0.971 . . . . 0.0 109.463 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -41.48 92.36 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.403 -0.919 . . . . 0.0 108.677 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -67.34 -39.95 85.82 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.015 -1.053 . . . . 0.0 109.401 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.09 78.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.27 -0.894 . . . . 0.0 109.286 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.462 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 25.7 tpp -63.33 -53.2 56.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.047 0.927 . . . . 0.0 108.711 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.01 -40.35 82.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.741 -0.599 . . . . 0.0 109.779 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.28 92.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.056 -1.028 . . . . 0.0 109.579 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.81 -49.36 77.79 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 111.623 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -60.26 -48.93 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 109.457 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.2 -40.24 85.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.605 -0.684 . . . . 0.0 109.233 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.61 -42.29 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 110.078 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.05 -57.87 7.54 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.893 -1.13 . . . . 0.0 111.511 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -59.95 -40.08 87.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.851 -1.156 . . . . 0.0 110.681 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -68.33 -39.44 81.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.427 -1.42 . . . . 0.0 108.409 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.492 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 59.8 t80 -74.15 -40.79 62.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.489 -0.757 . . . . 0.0 110.428 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 43.5 m -69.7 -17.58 63.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.732 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.88 21.83 28.39 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -79.83 -46.95 15.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.727 -1.455 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -150.95 146.92 26.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.308 -0.87 . . . . 0.0 109.827 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -170.01 50.0 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -73.29 148.35 43.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -1.06 . . . . 0.0 109.238 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 97.0 mttt -70.56 140.04 51.65 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.0 t60 78.47 39.83 0.13 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.533 -0.729 . . . . 0.0 109.131 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -153.37 109.76 3.36 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.55 115.59 28.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.828 -1.17 . . . . 0.0 109.929 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -86.68 160.47 18.85 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -57.2 -42.51 81.41 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.772 -1.205 . . . . 0.0 109.196 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -62.26 -39.99 94.74 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.111 -0.993 . . . . 0.0 108.591 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 122.294 1.045 . . . . 0.0 109.059 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 tp -63.1 -41.58 99.4 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.2 -42.32 98.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.6 tp10 -63.19 -44.83 94.29 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.345 -0.847 . . . . 0.0 109.817 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.492 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.7 tt -59.93 -48.83 80.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 110.168 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -60.1 -46.43 94.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.313 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -62.11 -42.24 99.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.816 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 88.5 m-20 -82.4 -46.22 13.81 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.828 -1.17 . . . . 0.0 111.647 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -88.58 -75.37 0.43 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.883 -1.136 . . . . 0.0 111.33 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 36' ' ' ILE . 63.2 tp -84.58 92.73 8.2 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.999 -1.063 . . . . 0.0 110.04 -178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.5 p -144.8 -33.88 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.231 -0.918 . . . . 0.0 109.336 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -68.42 -19.7 64.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.629 -0.67 . . . . 0.0 110.972 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -111.5 -15.9 13.42 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.155 -0.965 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 tp -139.88 141.03 36.61 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.189 -0.945 . . . . 0.0 108.584 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -125.28 -109.94 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.568 -0.708 . . . . 0.0 110.071 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 48.14 -141.98 0.52 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.308 -0.87 . . . . 0.0 109.732 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.413 ' O ' HG22 ' B' ' 47' ' ' ILE . 86.5 mt 50.21 69.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 0.0 110.264 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -107.71 -12.63 15.19 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.283 -0.886 . . . . 0.0 109.687 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.458 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 87.0 tt0 -135.89 150.63 49.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 0.0 109.368 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.28 -39.62 87.52 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.433 -0.792 . . . . 0.0 109.957 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 76.5 mm-40 -57.11 -32.1 65.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.172 -0.955 . . . . 0.0 109.897 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.88 -36.36 75.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.55 -41.65 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.22 -40.08 88.93 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.503 -0.748 . . . . 0.0 110.175 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.99 -51.57 53.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.89 -1.131 . . . . 0.0 108.658 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.73 -42.93 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.486 -0.759 . . . . 0.0 110.732 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.13 -49.41 75.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.98 -1.075 . . . . 0.0 109.826 -178.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.34 -40.91 92.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.814 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -66.29 -39.98 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.617 ' C ' HD23 ' B' ' 60' ' ' LEU . 8.0 tt -59.97 -47.11 87.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.612 -0.68 . . . . 0.0 109.295 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' B' ' 57' ' ' MET . 98.1 m-20 -62.26 100.03 0.16 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.757 0.789 . . . . 0.0 110.354 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.47 -39.66 88.44 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -96.04 -2.23 47.23 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.435 -0.79 . . . . 0.0 111.366 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.75 23.29 75.65 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.082 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 33.1 p-10 -65.4 -8.85 20.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.096 -1.238 . . . . 0.0 109.524 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.09 -25.43 7.76 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -119.59 172.64 7.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.187 -1.184 . . . . 0.0 108.426 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -108.41 104.92 14.38 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.176 -0.952 . . . . 0.0 109.342 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -70.09 169.53 13.29 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 122.05 0.928 . . . . 0.0 111.142 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.71 -43.57 97.65 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.691 0.758 . . . . 0.0 109.181 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.422 HE22 ' CG2' ' A' ' 82' ' ' THR . 87.0 mm-40 -60.22 -57.04 14.5 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.18 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.5 mt-10 -59.89 -40.62 89.36 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.42 ' O ' HG23 ' B' ' 77' ' ' VAL . 80.9 t80 -48.17 -40.19 23.17 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.68 -35.15 79.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.345 -0.847 . . . . 0.0 108.862 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.34 -55.14 37.19 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.08 -40.16 73.18 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 73' ' ' PHE . 54.7 t -59.81 -45.1 95.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.532 ' O ' ' N ' ' B' ' 81' ' ' THR . 67.9 m -67.25 -43.95 80.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.334 -0.854 . . . . 0.0 108.937 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.432 ' O ' ' N ' ' B' ' 83' ' ' ALA . 55.5 ttm -50.32 -41.42 51.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.005 -1.06 . . . . 0.0 108.879 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.88 -26.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.532 ' N ' ' O ' ' B' ' 78' ' ' SER . 4.4 m -82.99 -51.56 7.46 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.5 p -71.81 -19.96 61.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.611 -0.68 . . . . 0.0 110.391 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -74.37 -47.68 32.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.927 -1.108 . . . . 0.0 109.36 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 81.6 m . . . . . 0 C--N 1.301 -1.535 0 CA-C-O 121.466 0.65 . . . . 0.0 109.476 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.29 -31.3 72.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.217 -0.927 . . . . 0.0 110.002 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.96 -30.45 67.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.083 -1.01 . . . . 0.0 109.263 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.78 -39.98 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.329 -0.857 . . . . 0.0 109.898 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -64.41 -40.05 95.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.993 . . . . 0.0 109.834 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.93 83.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.414 -0.804 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -60.15 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.222 -0.924 . . . . 0.0 108.942 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.83 -40.08 81.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -42.86 92.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.678 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.91 -50.06 75.23 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.059 -1.025 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.96 -49.93 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 110.219 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.9 -40.13 87.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.272 -0.892 . . . . 0.0 109.43 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -40.74 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.915 . . . . 0.0 109.652 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.76 -55.97 21.76 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.982 -1.074 . . . . 0.0 111.274 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.97 -42.14 93.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.884 -1.135 . . . . 0.0 111.12 -176.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.485 ' O ' ' NH1' ' A' ' 20' ' ' ARG . 27.2 mt-30 -70.45 -40.19 73.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.109 -1.619 . . . . 0.0 109.639 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.64 -46.64 65.73 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.768 0.794 . . . . 0.0 109.12 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.0 t -70.93 -14.85 62.52 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.96 14.35 62.16 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.485 ' NH1' ' O ' ' A' ' 16' ' ' GLN . 80.6 mmt-85 -72.73 -40.16 66.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.412 . . . . 0.0 109.039 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.45 1.94 33.1 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.89 3.06 90.58 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -90.08 84.68 6.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.333 -1.098 . . . . 0.0 110.034 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -75.86 161.74 28.73 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 45.26 33.58 1.23 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.615 -1.303 . . . . 0.0 110.828 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -169.68 97.39 0.31 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.0 mp -96.68 128.86 44.03 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.82 157.51 19.56 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.505 -0.747 . . . . 0.0 110.246 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 35.8 ttpt -55.2 -46.36 75.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.661 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -60.13 -37.51 80.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.892 -1.13 . . . . 0.0 108.41 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.1 -46.42 90.68 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.93 -41.09 95.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.366 -0.834 . . . . 0.0 109.678 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.95 -44.55 94.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 0.0 109.336 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.0 -46.85 88.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.608 -0.683 . . . . 0.0 110.282 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.15 -49.71 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.037 -1.039 . . . . 0.0 111.155 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.956 -1.09 . . . . 0.0 110.069 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -76.33 -47.44 23.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.847 . . . . 0.0 110.957 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -84.01 -71.62 0.5 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.197 -0.939 . . . . 0.0 112.65 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -91.77 121.05 33.05 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.765 -1.209 . . . . 0.0 111.619 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.3 m -135.47 -48.54 0.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.84 -20.01 53.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.53 -0.731 . . . . 0.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.67 -17.63 17.68 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.323 -0.86 . . . . 0.0 109.91 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.96 135.39 10.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -171.34 -133.69 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 53.77 29.96 10.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -95.61 115.5 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.182 -0.949 . . . . 0.0 108.503 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -89.96 -79.53 0.34 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.225 -0.922 . . . . 0.0 110.576 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.28 166.62 10.47 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.825 0.821 . . . . 0.0 110.717 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.0 tt0 -60.01 -37.82 80.84 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.479 0.657 . . . . 0.0 109.275 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 47.9 mp0 -48.03 -30.79 4.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.195 -0.941 . . . . 0.0 109.082 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.62 -36.02 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.063 -1.023 . . . . 0.0 108.493 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.1 t -66.99 -39.97 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD1' ' NZ ' ' A' ' 29' ' ' LYS . 90.2 m-20 -59.92 -39.61 86.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 0.0 109.136 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.96 -48.41 81.81 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.383 -0.823 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.98 -41.48 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.94 -41.37 95.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.311 -0.868 . . . . 0.0 111.078 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.24 -40.93 91.99 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.057 -1.027 . . . . 0.0 109.896 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.23 -38.62 78.61 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.36 -0.837 . . . . 0.0 109.841 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.02 -39.94 75.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.468 -0.77 . . . . 0.0 110.358 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.85 101.76 0.87 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.068 -1.02 . . . . 0.0 110.261 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.62 -39.97 92.08 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.582 -0.699 . . . . 0.0 109.61 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -89.87 -11.17 42.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.189 -0.944 . . . . 0.0 110.623 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.08 29.05 73.22 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -77.67 -0.58 27.24 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.247 -1.149 . . . . 0.0 110.287 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.7 -2.95 71.15 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.63 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -131.51 163.87 27.05 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.374 . . . . 0.0 108.284 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -104.56 103.59 13.29 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.903 -1.123 . . . . 0.0 109.833 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.0 t0 -71.44 176.59 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 110.955 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 58.1 t80 -60.07 -49.95 75.63 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.493 0.663 . . . . 0.0 109.572 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.5 -52.6 64.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.627 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.95 -44.13 94.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -47.96 -43.22 29.21 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 tpt -69.68 -39.67 76.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -14.79 4.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.121 -0.987 . . . . 0.0 111.119 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -92.23 -26.41 18.19 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.87 -41.82 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.351 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' THR . 46.7 t -71.48 -49.46 41.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.944 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 ttm -49.92 -41.32 45.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.088 -1.007 . . . . 0.0 109.55 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.64 -25.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -78.67 -49.75 12.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.8 p -71.07 -15.13 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.694 -0.629 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.23 62.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 0.0 110.1 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 81' ' ' THR . 27.6 p . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.172 -0.955 . . . . 0.0 110.171 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.6 -31.04 72.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.774 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.99 -30.45 67.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 109.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.84 -40.14 94.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.313 -0.867 . . . . 0.0 109.763 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -64.4 -40.04 95.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.974 -1.079 . . . . 0.0 109.847 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -48.07 83.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.202 -0.936 . . . . 0.0 109.44 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.95 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.01 . . . . 0.0 109.024 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.93 -39.94 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.62 93.68 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.819 -1.175 . . . . 0.0 109.567 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.06 -49.85 76.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.927 -1.108 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.09 -49.9 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.007 -1.058 . . . . 0.0 110.223 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.05 -39.99 87.89 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.434 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.67 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.256 -0.902 . . . . 0.0 109.757 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.81 -55.84 22.77 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.095 -1.003 . . . . 0.0 111.24 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -59.95 -42.63 94.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.961 -1.087 . . . . 0.0 111.081 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.47 ' O ' ' NH1' ' B' ' 20' ' ' ARG . 27.2 mt-30 -70.06 -39.97 75.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.191 -1.568 . . . . 0.0 109.909 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -69.89 -46.63 65.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.776 0.798 . . . . 0.0 109.097 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -70.87 -14.98 62.59 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.01 14.55 61.7 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' B' ' 16' ' ' GLN . 80.2 mmt-85 -72.78 -40.06 66.25 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.734 -1.451 . . . . 0.0 109.11 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.6 2.21 33.05 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.691 -0.63 . . . . 0.0 109.327 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 3.34 90.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -90.38 84.74 6.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -1.119 . . . . 0.0 110.039 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -75.82 161.5 28.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 45.15 33.78 1.21 Allowed 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.62 -1.3 . . . . 0.0 110.822 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -169.8 97.52 0.3 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.39 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.418 ' N ' HD12 ' B' ' 27' ' ' LEU . 11.0 mp -96.88 128.64 44.04 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -86.5 157.54 19.76 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.485 -0.759 . . . . 0.0 110.317 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.514 ' NZ ' ' OD1' ' B' ' 54' ' ' ASP . 35.3 ttpt -55.42 -46.27 76.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -0.906 . . . . 0.0 109.708 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.8 p -60.02 -37.68 80.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.959 -1.088 . . . . 0.0 108.346 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.92 -39.93 75.87 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -61.23 -46.08 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.1 -41.06 95.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.41 -0.806 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.09 -44.6 94.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -0.823 . . . . 0.0 109.212 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.98 -46.91 87.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.51 -0.744 . . . . 0.0 110.294 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -60.03 -49.65 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.984 -1.072 . . . . 0.0 111.141 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.12 -39.91 87.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 110.136 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.52 -47.25 23.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 111.016 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.99 -71.31 0.51 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.317 -0.864 . . . . 0.0 112.731 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.8 mt -92.13 121.2 33.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.849 -1.157 . . . . 0.0 111.508 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 52.2 m -135.79 -48.33 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.85 -19.99 53.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.591 -0.693 . . . . 0.0 109.472 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.73 -17.71 17.6 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.238 -0.914 . . . . 0.0 109.808 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.94 135.47 10.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.31 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -171.25 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 53.61 29.73 9.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.106 -0.996 . . . . 0.0 109.695 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -95.34 115.46 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.105 -0.997 . . . . 0.0 108.497 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -89.97 -79.47 0.34 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.657 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -102.19 167.16 10.18 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.777 0.798 . . . . 0.0 110.83 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' B' ' 53' ' ' VAL . 29.7 tt0 -59.93 -38.32 82.04 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.533 0.682 . . . . 0.0 109.275 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 48.2 mp0 -47.78 -30.9 4.32 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.155 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.65 -35.79 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.054 -1.029 . . . . 0.0 108.605 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.3 t -67.19 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.514 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 90.5 m-20 -59.93 -39.36 85.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.41 -0.806 . . . . 0.0 109.088 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.97 -49.04 79.22 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.44 -41.59 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.257 -0.902 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 ttt -64.7 -41.62 95.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.309 -0.87 . . . . 0.0 111.059 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.05 -41.44 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.115 -0.991 . . . . 0.0 109.852 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.98 -38.48 79.37 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.365 -0.834 . . . . 0.0 109.791 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.03 -40.98 74.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.415 -0.803 . . . . 0.0 110.093 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -66.1 102.64 0.84 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.783 -1.198 . . . . 0.0 110.377 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.97 -40.02 90.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.58 -0.7 . . . . 0.0 109.545 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -89.67 -11.0 43.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.704 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.99 73.33 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.7 -0.57 27.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.271 -1.135 . . . . 0.0 110.333 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 -3.04 70.92 Favored Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.973 -1.108 . . . . 0.0 111.69 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -131.37 163.64 27.43 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.969 -1.312 . . . . 0.0 108.309 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.21 103.54 13.32 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.994 -1.066 . . . . 0.0 109.911 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.2 t0 -71.38 176.48 4.6 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.314 -0.866 . . . . 0.0 111.072 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 57.9 t80 -59.95 -50.04 75.32 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.575 0.702 . . . . 0.0 109.615 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.31 -52.68 64.6 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.615 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.99 -44.53 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.91 -1.119 . . . . 0.0 108.013 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -47.38 -43.29 23.26 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -69.75 -39.65 76.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -14.76 4.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 111.208 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -92.32 -26.7 17.99 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.7 -41.68 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.354 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.455 ' O ' ' N ' ' B' ' 81' ' ' THR . 48.2 t -71.72 -49.47 39.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.105 -0.997 . . . . 0.0 109.937 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttm -49.82 -41.29 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.036 . . . . 0.0 109.539 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.51 -25.91 36.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.455 ' N ' ' O ' ' B' ' 78' ' ' SER . 23.2 m -78.89 -49.61 12.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.5 p -71.08 -15.06 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.74 -0.6 . . . . 0.0 109.698 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 110.209 -178.46 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.41 -30.59 71.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.146 -0.971 . . . . 0.0 109.947 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.57 -33.1 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.297 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.91 -40.27 92.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.98 -40.39 96.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.018 -1.051 . . . . 0.0 109.719 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.81 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.058 -1.026 . . . . 0.0 109.289 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.9 ttm -61.57 -50.81 71.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.71 -40.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.951 -1.093 . . . . 0.0 109.242 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.24 -49.76 76.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.052 -1.03 . . . . 0.0 110.71 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -49.97 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.04 -39.73 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.866 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 9' ' ' ALA . 53.4 t -70.29 -42.0 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.918 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.06 -55.82 25.15 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.645 -1.284 . . . . 0.0 111.085 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.46 -39.94 85.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.029 . . . . 0.0 111.601 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -68.66 -36.62 78.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.457 -1.402 . . . . 0.0 109.824 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 14.4 m-85 -83.95 -42.89 15.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.369 -0.832 . . . . 0.0 110.916 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.2 t -70.06 -21.78 63.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.639 -1.288 . . . . 0.0 110.052 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.9 21.35 11.66 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -87.11 -53.66 4.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -1.156 . . . . 0.0 109.256 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -147.41 160.52 42.46 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.237 -0.914 . . . . 0.0 109.288 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.59 -158.18 39.0 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.745 ' H ' ' NZ ' ' A' ' 28' ' ' LYS . 19.2 t0 -78.12 166.15 23.12 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.036 -1.273 . . . . 0.0 108.468 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.77 -39.96 90.75 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.362 -0.836 . . . . 0.0 111.387 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -111.77 1.07 16.45 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.699 -1.25 . . . . 0.0 112.995 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 127.22 53.19 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 120.442 -1.411 . . . . 0.0 109.325 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.71 131.45 45.68 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.424 -0.797 . . . . 0.0 109.161 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.745 ' NZ ' ' H ' ' A' ' 23' ' ' ASP . 14.1 mptt -93.95 166.62 12.07 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 50' ' ' GLN . 38.5 tttm -58.89 -49.33 78.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.38 -0.825 . . . . 0.0 110.282 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 m -60.32 -40.13 89.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.726 -1.234 . . . . 0.0 109.71 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.23 -45.01 96.33 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.49 -40.34 90.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 110.206 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.53 -46.45 88.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.105 -0.997 . . . . 0.0 110.55 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.75 -50.08 75.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.911 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 94.1 mt -60.75 -50.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.222 -0.924 . . . . 0.0 109.516 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -61.67 -40.08 93.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 110.681 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -76.59 -56.03 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.179 -0.951 . . . . 0.0 111.214 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 17' ' ' TYR . 95.5 mt-10 -87.18 -75.27 0.41 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.993 -1.067 . . . . 0.0 112.115 -177.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 60.3 tp -82.14 96.12 7.71 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.801 -1.187 . . . . 0.0 110.82 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 36' ' ' ILE . 14.6 m -147.29 -33.56 0.27 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -61.82 -13.2 21.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.589 -0.694 . . . . 0.0 110.435 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.481 ' C ' HD12 ' A' ' 44' ' ' LEU . 91.9 m-85 -111.07 -13.08 14.11 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.046 -1.034 . . . . 0.0 109.562 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.481 HD12 ' C ' ' A' ' 43' ' ' PHE . 11.2 mp -110.08 -89.84 0.48 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.525 -0.734 . . . . 0.0 109.364 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 62.35 8.7 2.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.555 -0.715 . . . . 0.0 109.151 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.87 -14.36 27.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.5 mt -85.58 117.73 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.984 -1.072 . . . . 0.0 109.582 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -126.57 -27.26 3.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.574 -0.704 . . . . 0.0 109.835 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 58.0 mp0 -110.95 149.1 31.14 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.333 -0.854 . . . . 0.0 110.593 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' NE2' ' NZ ' ' A' ' 29' ' ' LYS . 25.2 mm100 -60.56 -39.75 89.14 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.529 0.681 . . . . 0.0 109.486 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -54.51 -33.39 59.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.55 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.08 -35.09 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.047 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.3 t -70.42 -39.98 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 109.177 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.62 -44.59 93.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.47 -0.768 . . . . 0.0 110.276 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.8 -49.28 75.56 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.039 -1.038 . . . . 0.0 108.728 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.59 -41.58 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.64 -0.663 . . . . 0.0 110.402 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttt -60.23 -47.95 83.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.019 -1.05 . . . . 0.0 110.881 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -46.65 88.7 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.002 -1.061 . . . . 0.0 109.681 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.7 m -60.57 -39.14 86.92 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.463 -0.773 . . . . 0.0 110.305 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.74 -40.19 76.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.359 -0.838 . . . . 0.0 110.844 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -66.89 101.29 0.81 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.001 -1.062 . . . . 0.0 109.909 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.1 -40.63 90.31 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.365 -0.835 . . . . 0.0 109.513 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -96.62 -4.6 40.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.312 -0.868 . . . . 0.0 111.345 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.25 72.26 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 120.594 -1.317 . . . . 0.0 110.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -71.45 -5.67 34.61 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.958 -1.319 . . . . 0.0 111.215 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -19.42 44.96 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.883 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 54.6 mp0 -129.69 170.02 14.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.067 -1.255 . . . . 0.0 109.092 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.84 104.96 14.79 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.297 -0.877 . . . . 0.0 109.894 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -69.85 175.35 4.39 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.807 0.813 . . . . 0.0 110.93 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.46 -49.6 76.92 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.462 0.648 . . . . 0.0 109.435 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.515 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 28.3 mp0 -56.75 -54.19 49.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.065 -1.022 . . . . 0.0 108.78 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -42.84 94.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.078 -1.014 . . . . 0.0 108.857 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -48.55 -40.56 27.53 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -67.52 -30.92 70.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 109.186 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.91 -53.24 58.48 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 80' ' ' VAL . 64.7 t80 -53.7 -40.02 65.66 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.92 -43.19 98.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.4 t -69.71 -47.5 62.94 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.491 -0.755 . . . . 0.0 110.187 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -52.28 -44.83 65.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.944 -1.097 . . . . 0.0 109.449 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 76' ' ' PHE . 67.7 t -62.07 -29.57 46.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.1 m -82.03 -49.39 10.28 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.753 0.787 . . . . 0.0 109.159 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 m -72.07 -18.48 61.93 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.299 0.571 . . . . 0.0 109.798 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -69.83 -39.79 76.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.314 -0.866 . . . . 0.0 109.666 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.259 -0.901 . . . . 0.0 109.694 -179.848 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.66 -31.12 71.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.967 -1.083 . . . . 0.0 109.844 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.01 -32.95 72.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.954 -1.091 . . . . 0.0 109.419 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.56 -40.05 90.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.464 -0.772 . . . . 0.0 109.413 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.5 -40.18 95.17 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.043 -1.036 . . . . 0.0 109.815 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.77 76.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 0.0 109.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.2 ttm -61.85 -50.71 71.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 108.956 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.97 -40.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.424 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.992 -1.068 . . . . 0.0 109.233 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.95 -49.59 77.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.972 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.1 -50.02 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.028 -1.045 . . . . 0.0 109.078 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.496 -0.882 . . . . 0.0 108.742 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 9' ' ' ALA . 54.0 t -70.06 -42.28 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.759 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.75 -55.9 25.25 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.673 -1.267 . . . . 0.0 111.142 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -59.45 -39.96 85.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 111.556 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.9 -36.47 78.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.578 -1.326 . . . . 0.0 109.807 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.439 ' CE2' ' OE2' ' B' ' 39' ' ' GLU . 14.1 m-85 -84.05 -42.8 15.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.285 -0.885 . . . . 0.0 110.953 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -70.37 -21.37 62.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.362 -1.461 . . . . 0.0 110.023 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.87 21.27 11.76 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -87.44 -52.86 5.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.025 -1.279 . . . . 0.0 109.392 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -148.05 160.06 43.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.313 -0.867 . . . . 0.0 109.047 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.29 -158.52 38.03 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 108.949 -1.661 . . . . 0.0 108.949 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.728 ' H ' ' NZ ' ' B' ' 28' ' ' LYS . 19.9 t0 -78.26 166.75 22.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.978 -1.307 . . . . 0.0 108.218 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.1 -39.67 90.83 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.266 -0.896 . . . . 0.0 111.531 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -112.08 1.03 16.13 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.834 -1.166 . . . . 0.0 112.966 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 126.76 52.69 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.574 -1.329 . . . . 0.0 109.635 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 87.6 mt -99.32 131.26 45.46 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.728 ' NZ ' ' H ' ' B' ' 23' ' ' ASP . 13.9 mptt -93.69 166.67 12.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.617 -0.677 . . . . 0.0 109.474 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' NZ ' ' NE2' ' B' ' 50' ' ' GLN . 38.9 tttm -58.81 -49.5 77.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 110.24 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.1 -40.06 88.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.8 -1.188 . . . . 0.0 109.805 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -70.03 -38.32 75.86 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.983 0.897 . . . . 0.0 108.752 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.67 -45.29 94.69 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -60.5 -40.08 90.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.449 -0.782 . . . . 0.0 110.281 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.18 -46.05 88.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.369 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.07 -50.09 75.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.169 -0.957 . . . . 0.0 109.803 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -60.46 -50.05 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.604 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -61.75 -39.94 93.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.146 -0.971 . . . . 0.0 110.797 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -76.66 -56.25 4.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.179 -0.951 . . . . 0.0 111.272 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.439 ' OE2' ' CE2' ' B' ' 17' ' ' TYR . 95.9 mt-10 -86.81 -75.0 0.41 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.879 -1.138 . . . . 0.0 112.135 -177.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' B' ' 36' ' ' ILE . 56.3 tp -82.6 96.71 8.17 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.004 -1.06 . . . . 0.0 110.741 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 36' ' ' ILE . 12.1 m -147.96 -33.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -61.77 -13.15 21.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.488 -0.757 . . . . 0.0 110.58 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.491 ' C ' HD12 ' B' ' 44' ' ' LEU . 92.8 m-85 -111.42 -13.03 13.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.132 -0.98 . . . . 0.0 109.503 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.491 HD12 ' C ' ' B' ' 43' ' ' PHE . 11.2 mp -110.01 -89.99 0.48 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.461 -0.774 . . . . 0.0 109.201 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 62.31 8.59 2.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.447 -0.783 . . . . 0.0 109.035 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -93.06 -14.26 27.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -85.15 116.84 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.937 -1.102 . . . . 0.0 109.789 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -125.74 -27.71 3.33 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.646 -0.659 . . . . 0.0 110.144 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.6 mp0 -111.27 149.18 31.41 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.361 -0.837 . . . . 0.0 110.744 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.407 ' NE2' ' NZ ' ' B' ' 29' ' ' LYS . 24.5 mm100 -60.26 -39.77 87.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.702 -0.624 . . . . 0.0 109.745 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -54.91 -32.85 61.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.87 . . . . 0.0 110.344 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.35 -34.64 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.009 -1.057 . . . . 0.0 109.081 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.95 -39.6 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.729 . . . . 0.0 109.183 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.85 -44.56 94.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.293 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -63.21 -49.09 75.58 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 108.598 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.49 -42.02 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.648 -0.657 . . . . 0.0 110.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.9 ttt -60.18 -47.72 84.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.843 -1.161 . . . . 0.0 111.056 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -46.88 87.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.124 -0.985 . . . . 0.0 109.651 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -60.83 -38.54 85.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.549 -0.719 . . . . 0.0 110.353 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.9 -40.42 75.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.882 . . . . 0.0 110.639 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.26 101.93 0.99 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.811 -1.18 . . . . 0.0 109.686 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.06 -40.25 88.83 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.514 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -97.2 -4.71 38.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 111.364 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.31 29.96 71.69 Favored Glycine 0 N--CA 1.493 2.479 0 O-C-N 120.551 -1.343 . . . . 0.0 110.034 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -71.2 -5.87 35.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.964 -1.315 . . . . 0.0 110.967 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.39 -17.0 54.68 Favored Glycine 0 N--CA 1.494 2.526 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.951 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 53.8 mp0 -130.54 169.55 15.42 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.091 -1.241 . . . . 0.0 108.935 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.81 104.78 14.57 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.367 -0.833 . . . . 0.0 109.857 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.12 175.35 4.59 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.889 0.852 . . . . 0.0 111.087 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.1 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.532 0.682 . . . . 0.0 109.741 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.517 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 28.3 mp0 -56.81 -54.26 48.45 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.094 -1.004 . . . . 0.0 108.694 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.56 94.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.999 -1.063 . . . . 0.0 108.823 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.73 -40.67 29.37 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.3 tpt -67.28 -31.55 71.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.146 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.25 59.17 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 80' ' ' VAL . 67.6 t80 -53.53 -40.03 65.15 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.35 -43.13 98.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 30.3 t -69.29 -47.64 63.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.411 -0.806 . . . . 0.0 110.267 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.9 ttt -52.72 -44.39 66.32 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.109 -0.995 . . . . 0.0 109.32 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 76' ' ' PHE . 87.6 t -62.36 -29.58 47.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 52.4 m -82.1 -49.7 9.89 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.68 0.752 . . . . 0.0 109.007 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -71.87 -18.21 62.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.714 -0.616 . . . . 0.0 109.792 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -70.01 -40.0 75.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.426 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.496 1.828 0 O-C-N 121.226 -0.921 . . . . 0.0 109.784 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.23 -36.51 73.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 109.77 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -70.62 -34.76 72.46 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 109.776 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.64 -44.95 94.99 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -60.76 -39.72 89.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.62 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.88 88.13 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 108.835 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.77 -51.18 68.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.463 -0.773 . . . . 0.0 109.759 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.12 -39.57 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.382 -0.824 . . . . 0.0 109.627 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.88 -41.86 92.5 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.131 -0.981 . . . . 0.0 109.007 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.19 -47.11 87.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.902 . . . . 0.0 110.04 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.8 -51.32 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.748 -1.22 . . . . 0.0 110.15 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -58.51 -39.73 80.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 9' ' ' ALA . 55.2 t -68.6 -39.95 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.393 -0.817 . . . . 0.0 109.247 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -60.94 -57.48 12.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.31 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.97 -43.61 94.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.159 -0.963 . . . . 0.0 112.076 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.66 -40.99 98.22 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.225 -1.547 . . . . 0.0 110.22 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.496 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.6 t80 -69.35 -41.56 76.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 109.382 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -69.9 -17.2 63.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.83 19.42 20.97 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -64.21 -40.1 95.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.763 -1.434 . . . . 0.0 108.126 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 23' ' ' ASP . 86.5 tt0 -119.63 153.29 35.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.9 -19.16 0.06 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLU . 95.3 m-20 -90.96 87.19 6.52 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.85 -1.382 . . . . 0.0 109.709 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -88.08 149.91 23.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.402 -0.812 . . . . 0.0 109.54 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 17.0 t60 75.69 33.94 0.61 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.724 0.774 . . . . 0.0 109.179 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' C ' HD22 ' A' ' 27' ' ' LEU . 32.6 tttm -152.54 111.64 3.84 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -98.35 114.52 26.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 29' ' ' LYS . 57.3 tttm -94.81 165.96 12.22 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 28' ' ' LYS . 23.8 pttm -59.75 -40.0 86.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.877 -1.139 . . . . 0.0 109.819 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.7 p -64.42 -39.19 93.37 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.69 -31.92 71.36 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.3 tp -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.466 0.651 . . . . 0.0 109.421 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -62.55 -40.53 97.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.354 -0.841 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.84 -42.01 86.47 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.921 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 52.2 tp -60.14 -48.41 81.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.358 -0.839 . . . . 0.0 109.677 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.73 -46.9 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.038 -1.039 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -61.12 -43.16 99.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.228 -0.92 . . . . 0.0 110.989 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -87.19 -26.14 23.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.992 -1.067 . . . . 0.0 111.276 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -87.96 -75.11 0.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.779 -1.201 . . . . 0.0 110.404 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.9 mt -99.37 121.09 40.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.15 -0.969 . . . . 0.0 110.513 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -124.94 -56.17 1.57 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -72.38 -20.44 61.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.412 -0.805 . . . . 0.0 109.616 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -101.1 0.13 37.27 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.481 -0.762 . . . . 0.0 109.759 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.497 HD13 ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -139.28 139.93 37.49 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.086 -1.009 . . . . 0.0 109.643 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.497 ' H ' HD13 ' A' ' 44' ' ' LEU . 20.4 pt-20 -75.9 148.36 38.31 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.95 137.65 41.77 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.346 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.9 mt -111.06 120.13 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.459 -0.775 . . . . 0.0 109.219 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -97.08 -21.65 17.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.333 -0.854 . . . . 0.0 110.021 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 53.1 mp0 -100.35 129.82 46.38 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.014 -1.054 . . . . 0.0 110.161 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -69.53 -31.52 69.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.549 -0.72 . . . . 0.0 110.034 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.53 -29.65 68.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.168 -0.958 . . . . 0.0 109.169 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.9 t -70.01 -36.34 68.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.84 -40.69 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.73 -40.29 91.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.755 . . . . 0.0 109.495 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.53 -42.03 95.63 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.5 -40.56 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 94.5 mmm -65.19 -41.47 94.53 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.725 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.46 -46.63 89.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 108.824 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -66.19 -39.8 89.96 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.633 0.73 . . . . 0.0 109.242 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.08 -40.3 65.14 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -79.11 48.69 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.871 -1.143 . . . . 0.0 110.816 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -38.13 81.77 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 19.9 p-10 -59.98 -32.7 71.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.684 -0.635 . . . . 0.0 109.815 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 96.05 83.64 1.66 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 67' ' ' GLU . 97.9 m-20 -142.32 -29.23 0.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.627 -0.925 . . . . 0.0 110.486 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.4 -9.91 13.03 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 107.891 -2.083 . . . . 0.0 107.891 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' A' ' 65' ' ' ASP . 99.0 mt-10 -134.05 161.19 35.51 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.5 t -109.14 109.06 19.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.77 -1.206 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -76.82 -177.82 4.54 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.389 1.09 . . . . 0.0 111.357 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.53 -41.27 94.11 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.705 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.91 -57.46 12.76 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -60.53 -39.95 89.73 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.018 . . . . 0.0 109.338 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 77' ' ' VAL . 64.5 t80 -47.28 -40.52 16.94 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -69.93 -31.9 69.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.477 -0.764 . . . . 0.0 109.288 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.49 -59.83 4.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.091 -1.005 . . . . 0.0 109.369 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -54.15 -40.12 67.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 73' ' ' PHE . 54.7 t -60.24 -45.27 96.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.3 p -67.04 -43.91 81.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.262 -0.898 . . . . 0.0 109.937 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.7 ttt -53.68 -41.31 66.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.084 -1.01 . . . . 0.0 108.66 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.52 -30.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -80.06 -45.23 18.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.0 m -70.21 -16.15 63.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.641 -0.662 . . . . 0.0 109.958 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.3 69.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.039 -1.038 . . . . 0.0 108.987 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.73 -36.68 72.38 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.086 -1.009 . . . . 0.0 109.711 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.542 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -71.27 -34.07 70.35 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.09 -1.006 . . . . 0.0 109.779 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.21 -45.06 93.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.903 -1.123 . . . . 0.0 110.186 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.53 -40.08 90.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.947 . . . . 0.0 109.595 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.95 91.28 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.365 -0.834 . . . . 0.0 108.99 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.2 mtp -64.03 -50.68 67.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 0.0 109.479 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.94 -40.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 109.321 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.66 91.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.226 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.13 -46.89 88.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.154 -0.967 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.85 -51.23 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 120.801 -1.187 . . . . 0.0 109.794 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -58.31 -40.12 81.2 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.412 HG11 HD23 ' A' ' 3' ' ' LEU . 53.9 t -68.24 -40.08 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.434 -0.791 . . . . 0.0 109.322 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.49 -57.84 11.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.158 -0.964 . . . . 0.0 110.55 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -60.0 -43.27 95.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 111.987 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -64.26 -40.8 96.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.309 -1.494 . . . . 0.0 110.013 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.486 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 68.5 t80 -68.3 -42.27 79.68 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.551 -0.859 . . . . 0.0 109.287 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p -69.81 -17.4 63.4 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.64 -0.663 . . . . 0.0 109.697 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.35 19.75 21.39 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.99 -40.02 95.45 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.763 -1.434 . . . . 0.0 107.973 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 23' ' ' ASP . 86.6 tt0 -118.83 153.35 34.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.71 -19.49 0.11 Allowed Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' B' ' 21' ' ' GLU . 94.3 m-20 -90.03 86.59 6.62 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.797 -1.414 . . . . 0.0 109.949 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 0.4 OUTLIER -87.68 150.41 23.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 109.819 179.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 17.2 t60 75.99 32.83 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.711 0.767 . . . . 0.0 109.137 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.442 ' C ' HD22 ' B' ' 27' ' ' LEU . 29.9 tttm -151.16 111.54 4.17 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.539 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.5 mm? -98.8 114.99 27.8 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.02 -1.05 . . . . 0.0 109.534 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.471 ' NZ ' ' HZ2' ' B' ' 29' ' ' LYS . 58.7 tttm -95.14 166.09 12.09 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HZ2' ' NZ ' ' B' ' 28' ' ' LYS . 24.1 pttm -59.87 -39.93 86.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.923 -1.111 . . . . 0.0 109.826 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -65.16 -38.17 89.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.991 -1.068 . . . . 0.0 108.313 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.99 -31.69 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.7 tp -70.7 -40.32 72.95 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.497 0.665 . . . . 0.0 109.385 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.52 -40.56 97.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 109.157 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.99 -41.96 85.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.279 -0.888 . . . . 0.0 108.84 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.486 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 56.3 tp -59.98 -48.58 81.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.444 -0.785 . . . . 0.0 109.583 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.25 -46.78 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.096 -1.002 . . . . 0.0 110.263 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.82 -43.63 97.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.049 -1.032 . . . . 0.0 110.765 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -86.71 -27.39 23.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.165 -0.959 . . . . 0.0 111.502 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -86.83 -74.8 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.875 -1.141 . . . . 0.0 110.361 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.0 121.62 41.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -125.14 -56.06 1.55 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -72.31 -20.03 61.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.435 -0.791 . . . . 0.0 109.461 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -101.31 0.6 37.49 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.399 -0.813 . . . . 0.0 110.0 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.556 HD13 ' H ' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -139.88 140.42 36.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.556 ' H ' HD13 ' B' ' 44' ' ' LEU . 20.2 pt-20 -76.47 147.88 37.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 108.752 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -73.72 138.35 44.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.189 -0.945 . . . . 0.0 109.208 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -111.81 119.89 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.99 -20.6 17.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 54.3 mp0 -101.07 128.79 46.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.039 -1.038 . . . . 0.0 110.218 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.93 -32.36 71.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.548 -0.72 . . . . 0.0 110.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.71 -29.53 66.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.101 -0.999 . . . . 0.0 109.264 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.7 t -70.02 -36.75 70.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.96 -40.18 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -61.06 -39.98 91.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.845 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.15 -42.62 95.29 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.3 -40.72 84.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.78 -41.11 96.1 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.657 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.77 -46.33 90.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -73.54 -40.67 63.81 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -79.44 49.7 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.794 -1.191 . . . . 0.0 110.744 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.96 -38.35 82.22 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 20.3 p-10 -60.0 -33.03 71.42 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.377 0.608 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.454 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 96.76 83.79 1.69 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' B' ' 67' ' ' GLU . 98.7 m-20 -142.64 -28.88 0.58 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.769 -0.842 . . . . 0.0 110.53 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.65 10.41 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -133.6 161.6 34.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.0 t -109.33 109.44 20.33 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.746 -1.221 . . . . 0.0 109.38 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -77.14 -177.67 4.64 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 122.304 1.049 . . . . 0.0 111.444 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.49 -41.79 94.97 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.636 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.83 -57.42 12.98 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.9 mt-10 -60.38 -40.02 89.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.988 -1.07 . . . . 0.0 109.355 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.548 ' O ' HG23 ' B' ' 77' ' ' VAL . 64.4 t80 -46.99 -40.77 15.13 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.0 -31.81 69.68 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.47 -0.769 . . . . 0.0 109.252 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -63.71 -59.78 4.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.965 -1.084 . . . . 0.0 109.496 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.87 -39.92 66.12 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 73' ' ' PHE . 53.3 t -60.84 -44.62 98.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.407 ' O ' ' N ' ' B' ' 81' ' ' THR . 83.1 p -67.52 -43.79 79.95 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.354 -0.841 . . . . 0.0 109.797 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.8 ttt -52.87 -42.39 65.2 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 108.852 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.24 -30.14 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 78' ' ' SER . 20.4 m -80.23 -44.55 19.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.402 ' N ' ' O ' ' B' ' 78' ' ' SER . 18.0 m -70.54 -15.9 62.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.616 -0.677 . . . . 0.0 109.793 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.45 68.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.088 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.483 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.307 0.575 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.29 -32.67 74.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.91 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.94 -36.26 75.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.265 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.91 -40.4 97.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.95 -38.51 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.825 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.968 . . . . 0.0 109.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.8 mtp -66.18 -48.65 70.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.86 -37.44 71.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.646 -0.659 . . . . 0.0 109.323 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.96 -41.01 90.98 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.97 -1.081 . . . . 0.0 109.284 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.12 -46.38 89.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.155 -0.966 . . . . 0.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.01 -49.81 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.902 -1.124 . . . . 0.0 109.344 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.8 -40.04 86.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 9' ' ' ALA . 54.4 t -69.93 -40.35 78.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.821 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.29 -56.59 15.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.596 -1.315 . . . . 0.0 111.025 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.132 -0.98 . . . . 0.0 111.57 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -67.54 -39.98 85.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.19 -1.569 . . . . 0.0 109.69 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -76.42 -44.21 36.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.172 -0.955 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -73.22 -20.09 60.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.584 -1.322 . . . . 0.0 109.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.81 19.02 23.06 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.7 -44.74 18.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.925 -1.338 . . . . 0.0 109.04 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 15.5 tm-20 -169.33 152.78 5.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.162 -0.961 . . . . 0.0 109.302 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 86.72 90.33 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 48.85 -140.29 0.71 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -1.131 . . . . 0.0 108.976 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -131.17 -39.0 1.2 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.254 -0.904 . . . . 0.0 110.266 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -113.54 12.51 18.6 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.298 -0.876 . . . . 0.0 110.944 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -105.84 121.44 44.07 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 108.942 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.26 124.57 42.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.294 -0.879 . . . . 0.0 109.852 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -90.66 162.58 14.88 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -55.96 -39.01 71.14 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -60.1 -36.47 77.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.095 -1.003 . . . . 0.0 109.202 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.71 -31.24 71.05 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.418 -0.801 . . . . 0.0 109.189 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 32' ' ' LEU . 83.6 mt -70.03 -39.59 75.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.483 -0.761 . . . . 0.0 109.63 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.61 -43.99 97.43 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.317 -0.864 . . . . 0.0 110.532 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.04 -44.48 69.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.985 -1.072 . . . . 0.0 109.943 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.488 HD11 ' OE2' ' A' ' 39' ' ' GLU . 36.3 tp -60.03 -49.68 76.71 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.42 -0.8 . . . . 0.0 108.966 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 40' ' ' LEU . 83.2 mt -60.04 -48.92 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.588 -0.695 . . . . 0.0 110.357 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -60.63 -40.02 90.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 110.595 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.29 -42.39 45.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.089 -1.007 . . . . 0.0 110.27 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.488 ' OE2' HD11 ' A' ' 35' ' ' LEU . 98.9 mt-10 -88.45 -75.15 0.43 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.367 -0.833 . . . . 0.0 110.994 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 mt -92.43 102.72 15.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.071 -1.018 . . . . 0.0 110.333 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p -140.48 -49.57 0.45 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -83.36 0.88 44.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.43 -16.19 11.98 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.1 tp -133.59 154.99 50.45 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.09 140.55 56.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.282 -0.887 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.18 148.8 51.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 109.83 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 mm -72.04 128.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 108.941 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -94.64 -72.23 0.63 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.262 -0.899 . . . . 0.0 110.332 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -109.99 152.59 25.7 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.403 -0.811 . . . . 0.0 110.205 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.0 tt0 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.398 -0.814 . . . . 0.0 109.054 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.25 -36.54 9.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.17 -0.956 . . . . 0.0 109.597 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.56 -34.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' GLN . 62.5 t -70.83 -41.61 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.613 -0.68 . . . . 0.0 109.534 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.08 -40.24 88.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.269 -0.894 . . . . 0.0 109.539 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.27 -49.4 77.22 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.27 -40.93 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.04 -45.37 92.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.274 -0.891 . . . . 0.0 108.887 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.13 -49.28 78.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.408 -0.807 . . . . 0.0 109.137 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -68.94 -39.99 79.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.537 -0.727 . . . . 0.0 109.52 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.8 -40.03 76.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.333 -0.854 . . . . 0.0 109.552 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 49.2 t0 -66.43 102.48 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.185 -0.947 . . . . 0.0 109.599 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.92 -40.86 98.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.378 -0.826 . . . . 0.0 110.641 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 17.3 p-10 -98.19 -2.74 39.1 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.145 -0.972 . . . . 0.0 110.891 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 27.88 73.29 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.684 -1.246 . . . . 0.0 110.101 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 35.6 p-10 -73.38 -5.41 39.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.128 -1.219 . . . . 0.0 110.362 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.8 76.75 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 68' ' ' CYS . 15.7 tm-20 -157.48 158.36 35.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 67' ' ' GLU . 79.2 m -113.95 104.47 12.19 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.928 -1.107 . . . . 0.0 109.397 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 12.9 t70 -71.78 175.64 5.57 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 122.224 1.011 . . . . 0.0 111.324 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.465 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.5 t80 -60.97 -45.64 93.97 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.684 0.754 . . . . 0.0 109.129 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.573 HE22 ' CG2' ' B' ' 82' ' ' THR . 90.4 mm-40 -59.93 -55.16 37.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 109.098 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.9 mt-10 -59.92 -42.05 93.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.76 -1.212 . . . . 0.0 108.602 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -46.8 -39.04 11.09 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 tpt -67.52 -32.3 73.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.2 -54.99 33.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -52.4 -39.94 61.52 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.63 -41.05 86.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.2 p -71.82 -48.05 48.98 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.532 -0.73 . . . . 0.0 110.307 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -50.79 -39.96 54.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.139 -0.976 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.85 -27.83 39.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -79.49 -47.33 15.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.653 ' CG2' HE22 ' B' ' 71' ' ' GLN . 40.2 p -69.94 -13.78 62.41 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.404 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.86 -47.17 31.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 108.956 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.533 -0.73 . . . . 0.0 109.339 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.387 0.613 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.7 -32.25 73.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.332 -0.855 . . . . 0.0 109.836 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.03 -36.46 75.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.08 -1.012 . . . . 0.0 110.271 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.72 -40.69 97.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.251 -0.906 . . . . 0.0 109.585 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.72 -38.41 91.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 109.773 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.13 90.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -66.23 -48.49 70.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.406 -0.809 . . . . 0.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -60.08 -37.29 72.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.665 -0.647 . . . . 0.0 109.275 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.95 90.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.983 -1.073 . . . . 0.0 109.304 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.16 -46.49 89.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.202 -0.936 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -59.98 -49.97 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 120.918 -1.114 . . . . 0.0 109.232 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.53 -39.98 85.7 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.89 -40.23 78.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.393 -0.817 . . . . 0.0 109.821 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.54 -56.51 15.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.302 . . . . 0.0 111.005 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.174 -0.954 . . . . 0.0 111.508 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -67.49 -40.0 85.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.189 -1.569 . . . . 0.0 109.747 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.29 -44.21 38.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.327 -0.858 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.6 p -73.41 -19.94 60.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.618 -1.301 . . . . 0.0 109.897 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.59 18.88 22.58 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -80.54 -44.65 18.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.882 -1.364 . . . . 0.0 109.216 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.485 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.5 tm-20 -169.46 152.87 4.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.317 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.485 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 86.56 90.34 0.96 Allowed Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 48.82 -140.09 0.72 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.195 -1.179 . . . . 0.0 109.038 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -131.31 -39.07 1.17 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.123 -0.986 . . . . 0.0 110.256 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -113.62 12.38 18.47 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.335 -0.853 . . . . 0.0 110.956 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -105.81 121.3 43.77 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.039 -1.038 . . . . 0.0 109.004 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.16 124.41 42.71 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.303 -0.873 . . . . 0.0 109.873 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -90.51 162.48 15.02 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -55.78 -39.22 70.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.004 -1.06 . . . . 0.0 109.23 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 97.1 p -60.04 -36.14 76.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.947 -1.096 . . . . 0.0 109.198 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.04 -31.19 70.68 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.327 -0.858 . . . . 0.0 109.112 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.97 -39.52 75.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.505 -0.747 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.9 -43.93 97.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 110.445 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -69.93 -44.53 69.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.065 -1.022 . . . . 0.0 110.005 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.494 HD11 ' OE2' ' B' ' 39' ' ' GLU . 37.9 tp -60.04 -49.51 77.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.344 -0.847 . . . . 0.0 109.092 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.432 ' O ' ' O ' ' B' ' 40' ' ' LEU . 84.9 mt -60.13 -49.02 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.266 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -60.66 -40.07 90.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.111 -0.993 . . . . 0.0 110.568 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -76.2 -42.23 46.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.494 ' OE2' HD11 ' B' ' 35' ' ' LEU . 98.9 mt-10 -88.74 -75.17 0.44 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.322 -0.861 . . . . 0.0 110.866 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.6 mt -92.5 102.72 15.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.302 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.5 p -140.5 -49.52 0.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -83.37 0.92 43.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.636 -0.665 . . . . 0.0 109.902 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.46 -16.08 11.97 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -133.63 154.87 50.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 109.289 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -59.98 140.37 56.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.341 -0.849 . . . . 0.0 109.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.02 148.56 51.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.312 -0.867 . . . . 0.0 109.898 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.81 128.0 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.908 . . . . 0.0 109.087 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.76 -72.0 0.64 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.277 -0.889 . . . . 0.0 110.266 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -109.97 152.55 25.73 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.437 -0.789 . . . . 0.0 110.297 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.1 tt0 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.381 -0.824 . . . . 0.0 108.962 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.22 -36.76 9.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 109.569 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.7 t -67.42 -34.34 68.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 108.37 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' GLN . 53.0 t -70.83 -41.59 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.687 -0.633 . . . . 0.0 109.543 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -59.99 -40.33 88.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.666 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.22 -49.55 76.69 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.05 -40.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 tpt -63.08 -45.5 91.83 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.295 -0.878 . . . . 0.0 108.818 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.97 -49.62 76.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.005 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.82 -39.91 79.76 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.602 -0.686 . . . . 0.0 109.54 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.67 -40.43 76.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.543 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 49.3 t0 -66.25 102.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.026 -1.046 . . . . 0.0 109.646 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.77 -40.96 98.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.672 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 17.2 p-10 -98.29 -2.51 39.33 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.045 -1.034 . . . . 0.0 110.911 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 27.73 73.06 Favored Glycine 0 N--CA 1.494 2.529 0 C-N-CA 119.689 -1.243 . . . . 0.0 110.224 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 35.1 p-10 -73.05 -5.65 40.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.157 -1.202 . . . . 0.0 110.244 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.14 24.6 75.34 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 68' ' ' CYS . 15.7 tm-20 -158.07 158.09 34.12 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 67' ' ' GLU . 82.0 m -113.63 104.52 12.32 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.856 -1.153 . . . . 0.0 109.403 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.0 t70 -72.05 175.66 5.75 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.977 0.894 . . . . 0.0 111.319 -178.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 62.3 t80 -60.71 -45.84 92.68 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.698 0.761 . . . . 0.0 109.198 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.653 HE22 ' CG2' ' A' ' 82' ' ' THR . 90.8 mm-40 -59.82 -55.1 38.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.296 -0.877 . . . . 0.0 109.211 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -60.08 -41.96 93.58 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.843 -1.16 . . . . 0.0 108.523 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -46.89 -39.04 11.39 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.3 tpt -67.5 -32.22 72.9 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.34 -54.96 32.94 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -52.2 -39.98 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -41.19 87.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.472 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.3 p -71.79 -47.98 49.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.467 -0.771 . . . . 0.0 110.221 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.5 ttt -50.74 -40.05 53.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 109.069 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.78 -27.75 39.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.472 ' N ' ' O ' ' B' ' 78' ' ' SER . 22.0 m -79.52 -47.55 15.37 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.573 ' CG2' HE22 ' A' ' 71' ' ' GLN . 41.5 p -69.85 -13.68 62.38 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.519 -0.738 . . . . 0.0 109.452 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.62 -47.45 32.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.284 -0.885 . . . . 0.0 108.911 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.616 -0.678 . . . . 0.0 109.416 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -36.73 77.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.979 . . . . 0.0 110.3 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.89 -35.82 77.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.797 -1.189 . . . . 0.0 110.075 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.23 -40.02 92.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.0 -35.39 74.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.599 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.91 75.84 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.279 -0.888 . . . . 0.0 109.63 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.69 -41.34 83.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.034 -1.041 . . . . 0.0 109.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.01 -39.97 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.907 . . . . 0.0 109.484 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.1 85.37 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.116 -0.99 . . . . 0.0 109.668 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -60.04 -46.15 90.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.988 -1.07 . . . . 0.0 109.64 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.04 -51.4 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.917 -1.115 . . . . 0.0 109.675 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.5 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 83.2 m-20 -64.94 -41.8 95.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.173 -0.955 . . . . 0.0 109.646 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.94 -43.83 79.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.257 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.31 -54.36 46.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 110.765 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.93 -41.46 91.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.957 . . . . 0.0 112.154 -176.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.502 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 1.1 mp0 -69.83 -40.36 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.039 -1.663 . . . . 0.0 109.661 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -72.81 -44.32 61.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.2 -0.938 . . . . 0.0 109.839 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.7 t -71.39 -22.74 61.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.017 -1.052 . . . . 0.0 110.739 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.06 20.32 33.69 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -70.41 -39.56 74.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.978 -1.307 . . . . 0.0 109.327 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.9 tt0 -165.62 160.94 18.0 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.09 175.62 40.83 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 89.0 m-20 -49.94 -99.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.993 . . . . 0.0 109.83 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 87.9 tttt -173.15 127.55 0.45 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.178 -0.952 . . . . 0.0 109.912 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.9 t-80 84.39 0.38 0.91 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 122.038 -0.414 . . . . 0.0 110.157 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -110.1 119.48 39.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.33 -0.856 . . . . 0.0 109.314 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.9 mp -96.27 120.88 37.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.999 -1.063 . . . . 0.0 109.472 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -91.64 162.0 14.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.494 0.664 . . . . 0.0 110.152 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HZ1' ' N ' ' A' ' 54' ' ' ASP . 38.0 tttp -52.21 -47.61 65.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.541 -0.725 . . . . 0.0 109.636 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.186 -0.946 . . . . 0.0 109.791 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.4 mt-10 -69.69 -39.74 76.78 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.922 0.868 . . . . 0.0 108.74 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.97 -48.92 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.366 0.603 . . . . 0.0 109.815 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.29 -40.07 89.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.339 -0.851 . . . . 0.0 110.602 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.0 -45.6 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD11 ' OE1' ' A' ' 39' ' ' GLU . 59.2 tp -60.02 -49.51 77.39 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.321 -0.862 . . . . 0.0 110.374 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -47.12 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 110.206 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -75.06 -23.46 58.07 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.341 -0.85 . . . . 0.0 110.769 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -91.39 -0.46 57.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.849 -1.157 . . . . 0.0 111.615 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.9 mt-10 -147.04 -41.74 0.18 Allowed 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.593 -1.317 . . . . 0.0 111.169 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -90.18 0.8 57.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.013 -1.055 . . . . 0.0 110.714 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.3 t -60.02 -39.45 85.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.873 -1.142 . . . . 0.0 108.851 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -67.56 -21.61 65.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.406 -0.809 . . . . 0.0 110.317 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -103.19 -18.27 14.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.085 -1.009 . . . . 0.0 109.11 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -138.84 135.16 34.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.394 -0.816 . . . . 0.0 109.64 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.39 86.65 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 54.0 tt0 -171.7 -130.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.355 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.2 mt 39.96 59.83 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 109.272 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -93.96 -5.78 46.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.351 -0.843 . . . . 0.0 110.202 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.04 136.47 54.55 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.352 -0.842 . . . . 0.0 110.049 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.46 -40.05 89.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.476 -0.765 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -53.71 -29.52 39.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 109.783 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.45 -37.49 77.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.205 -0.934 . . . . 0.0 108.922 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.33 -41.25 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.565 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 61.5 t0 -59.96 -43.58 94.96 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.933 . . . . 0.0 110.372 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.24 -40.78 95.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 108.976 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.88 -40.97 86.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.71 -0.619 . . . . 0.0 109.864 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 35.1 ttm -60.01 -49.52 77.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.03 -42.08 93.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.171 -0.956 . . . . 0.0 110.278 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.342 -0.848 . . . . 0.0 109.93 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.49 -39.95 70.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.51 -0.744 . . . . 0.0 110.596 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.92 102.2 2.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.98 -1.075 . . . . 0.0 110.518 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.11 -40.74 94.92 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.428 -0.795 . . . . 0.0 109.218 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -87.88 -14.04 40.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 110.485 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.95 30.02 70.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -74.27 -2.8 26.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -1.212 . . . . 0.0 110.119 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 5.06 89.62 Favored Glycine 0 N--CA 1.492 2.368 0 C-N-CA 119.803 -1.189 . . . . 0.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -140.1 159.99 40.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.075 -1.25 . . . . 0.0 108.158 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.7 t -102.06 106.46 17.35 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.932 -1.105 . . . . 0.0 109.299 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -73.32 178.95 4.2 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.885 0.85 . . . . 0.0 110.821 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 56.9 t80 -61.2 -49.2 78.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.574 0.702 . . . . 0.0 109.691 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.48 -54.05 50.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.057 -1.027 . . . . 0.0 108.885 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -59.99 -42.94 95.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.936 -1.103 . . . . 0.0 108.708 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -50.18 -39.96 45.43 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -68.66 -32.23 71.92 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' SER . . . -64.24 -57.87 8.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 108.838 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.84 -35.48 10.32 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.96 -41.65 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 75' ' ' ALA . 52.5 p -73.2 -48.65 33.31 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' SER . 46.6 ttm -43.73 -40.04 4.04 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 81' ' ' THR . 26.5 t -55.67 -84.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.431 ' N ' HG12 ' A' ' 80' ' ' VAL . 78.9 p -42.18 -52.77 4.27 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.747 -1.221 . . . . 0.0 113.066 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.4 p -60.03 -31.99 70.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.223 -1.548 . . . . 0.0 110.399 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.45 -35.88 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.118 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 93.1 m . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.611 -0.681 . . . . 0.0 109.58 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.02 -36.76 77.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.128 -0.982 . . . . 0.0 110.48 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.13 -35.56 76.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.775 -1.203 . . . . 0.0 109.909 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.27 -40.02 92.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.092 -1.005 . . . . 0.0 109.08 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.03 -35.07 74.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.719 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.331 -0.856 . . . . 0.0 109.69 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.94 -41.36 82.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.092 -1.005 . . . . 0.0 110.12 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.93 -40.08 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.315 -0.865 . . . . 0.0 109.477 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.17 85.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.071 -1.018 . . . . 0.0 109.607 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.09 -46.09 90.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.966 -1.084 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.04 -51.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.659 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.513 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 83.2 m-20 -64.99 -41.79 95.1 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 0.0 109.66 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.0 t -70.02 -43.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -60.37 -54.25 47.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 110.724 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.01 -41.23 91.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.113 -0.992 . . . . 0.0 112.239 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.1 mp0 -70.02 -40.19 75.36 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.068 -1.645 . . . . 0.0 109.742 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -72.97 -44.09 61.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 109.833 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.9 t -71.43 -22.92 61.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.22 20.43 33.6 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -70.52 -39.27 74.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.324 . . . . 0.0 109.35 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.46 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 87.9 tt0 -165.58 160.77 17.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 109.389 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 92.95 175.82 41.03 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLY . 88.9 m-20 -50.03 -99.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.466 -1.02 . . . . 0.0 109.824 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 85.8 tttt -173.5 127.65 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.889 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.528 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.9 t-80 84.3 0.49 0.93 Allowed 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 120.979 0.419 . . . . 0.0 110.176 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -110.17 119.27 38.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.331 -0.856 . . . . 0.0 109.314 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.499 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.9 mp -96.31 120.73 37.14 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.929 -1.107 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -91.69 162.24 14.57 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.512 0.672 . . . . 0.0 110.301 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.571 ' HZ1' ' N ' ' B' ' 54' ' ' ASP . 39.2 tttp -52.16 -47.85 65.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 109.513 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.171 -0.956 . . . . 0.0 109.684 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 98.9 mt-10 -69.55 -39.85 77.18 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.932 0.872 . . . . 0.0 108.683 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.99 -48.83 80.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.366 0.603 . . . . 0.0 109.906 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.34 -40.23 89.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.338 -0.851 . . . . 0.0 110.444 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.04 -45.67 92.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.96 -49.52 77.35 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.43 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.02 -47.05 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.855 . . . . 0.0 110.328 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -75.14 -23.61 57.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.177 -0.952 . . . . 0.0 110.733 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -91.21 -0.58 57.72 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.856 -1.153 . . . . 0.0 111.673 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -146.99 -41.82 0.18 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.533 -1.354 . . . . 0.0 111.131 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.555 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.2 mp -90.06 0.85 56.91 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.003 -1.061 . . . . 0.0 110.721 -178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -60.12 -39.41 86.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.839 -1.163 . . . . 0.0 108.846 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.73 -21.44 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -103.24 -18.06 15.06 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.093 -1.005 . . . . 0.0 109.172 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -139.24 135.29 33.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.404 -0.81 . . . . 0.0 109.549 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.27 86.68 2.49 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 47' ' ' ILE . 54.0 tt0 -171.75 -130.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.44 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' B' ' 46' ' ' GLU . 40.1 mt 39.95 59.67 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.575 -0.703 . . . . 0.0 109.305 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -93.95 -5.54 47.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.23 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -120.0 136.35 54.58 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.397 -0.815 . . . . 0.0 109.991 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.45 -39.94 89.34 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.452 -0.78 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -53.74 -29.41 39.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.086 -1.009 . . . . 0.0 109.861 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.52 -37.53 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 108.941 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.491 HG12 ' HZ2' ' B' ' 29' ' ' LYS . 94.7 t -70.5 -40.84 77.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.571 ' N ' ' HZ1' ' B' ' 29' ' ' LYS . 62.3 t0 -60.01 -43.96 94.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.16 -40.93 95.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 108.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.91 -40.74 86.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.662 -0.649 . . . . 0.0 109.896 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.96 -49.67 76.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.85 -1.156 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.96 -42.07 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.16 -0.962 . . . . 0.0 110.296 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.06 -39.95 75.37 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.95 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.19 -41.22 70.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.433 -0.792 . . . . 0.0 110.402 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.49 102.14 1.74 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.766 -1.209 . . . . 0.0 110.654 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.18 -40.65 94.72 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.384 -0.822 . . . . 0.0 109.24 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.91 -14.14 40.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.321 -0.862 . . . . 0.0 110.511 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.05 70.2 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 119.811 -1.185 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 p-10 -74.39 -2.78 26.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.115 -1.227 . . . . 0.0 110.172 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.92 5.03 89.68 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.213 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -140.22 159.96 41.02 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.235 . . . . 0.0 108.26 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.89 106.42 17.38 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.887 -1.133 . . . . 0.0 109.341 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.1 t70 -73.08 179.07 3.97 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.891 0.853 . . . . 0.0 110.892 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 56.9 t80 -61.55 -48.9 78.89 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.632 0.73 . . . . 0.0 109.656 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.55 -54.1 49.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.035 -1.041 . . . . 0.0 108.886 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.4 mt-10 -60.02 -43.07 95.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.953 -1.092 . . . . 0.0 108.608 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -49.95 -40.05 42.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.3 tpt -68.67 -31.98 71.47 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.65 -57.57 8.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.148 -0.97 . . . . 0.0 108.871 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.86 -35.41 10.31 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.99 -41.83 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 75' ' ' ALA . 52.5 p -73.06 -48.67 33.94 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.401 ' N ' ' O ' ' B' ' 75' ' ' ALA . 48.1 ttm -43.77 -40.0 4.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.433 HG12 ' N ' ' B' ' 81' ' ' THR . 36.8 t -55.71 -84.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.433 ' N ' HG12 ' B' ' 80' ' ' VAL . 75.9 p -42.06 -52.81 4.14 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.719 -1.238 . . . . 0.0 113.007 -177.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 80.6 p -60.14 -32.1 70.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.237 -1.54 . . . . 0.0 110.35 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.93 68.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.108 -0.995 . . . . 0.0 109.108 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.722 . . . . 0.0 109.522 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.273 0.559 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.01 -33.59 72.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -72.03 -32.73 67.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.958 . . . . 0.0 109.311 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.96 -46.12 92.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.98 -40.02 96.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.418 -0.801 . . . . 0.0 109.857 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.28 89.97 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.143 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.1 ttm -61.68 -49.47 76.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.94 . . . . 0.0 109.736 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -39.98 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.28 90.7 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.964 -1.085 . . . . 0.0 108.206 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -59.96 -50.88 72.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.717 . . . . 0.0 110.126 -178.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.07 -49.91 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.925 -1.109 . . . . 0.0 109.489 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -57.4 -40.03 77.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.044 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.371 -0.831 . . . . 0.0 110.331 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -62.14 -58.31 8.26 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.889 -1.132 . . . . 0.0 111.177 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -59.95 -40.79 90.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.827 -1.171 . . . . 0.0 111.942 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.39 -40.02 95.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.295 -1.503 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -72.08 -46.56 56.31 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.543 -0.723 . . . . 0.0 109.736 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.0 p -72.93 -19.57 61.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 110.137 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.41 15.88 55.07 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -78.27 -44.14 26.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.054 -1.263 . . . . 0.0 109.26 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -151.09 130.93 13.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 109.237 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.52 -179.91 36.19 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.68 149.88 38.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -1.124 . . . . 0.0 110.151 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 61.7 mttm -70.06 146.49 50.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 109.514 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER 81.23 21.83 0.35 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.614 0.721 . . . . 0.0 109.332 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -151.06 107.86 3.54 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.0 mp -96.51 120.38 36.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.107 -0.996 . . . . 0.0 109.861 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 14.3 ttmm -92.43 166.83 12.36 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.431 -0.793 . . . . 0.0 109.593 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -52.41 -42.76 64.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.808 -1.182 . . . . 0.0 109.325 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -59.97 -39.68 86.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.282 -0.886 . . . . 0.0 108.979 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 28' ' ' LYS . 45.1 mt-10 -68.05 -39.04 83.1 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.95 -45.63 92.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.575 -0.703 . . . . 0.0 109.493 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.945 -1.097 . . . . 0.0 109.468 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.19 -43.51 98.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -59.43 -48.59 81.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.423 -0.798 . . . . 0.0 109.435 -178.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.9 -40.22 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.917 -1.114 . . . . 0.0 110.24 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -75.36 -20.79 58.8 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.32 -0.862 . . . . 0.0 111.693 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -60.65 -61.71 2.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 111.891 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -145.42 -14.49 0.5 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.62 -1.3 . . . . 0.0 110.443 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -82.12 111.41 18.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.687 -1.258 . . . . 0.0 109.086 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 t -156.05 -35.32 0.09 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -64.93 -37.37 87.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.528 -0.733 . . . . 0.0 109.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' C ' HD22 ' A' ' 44' ' ' LEU . 96.8 m-85 -98.98 -2.76 36.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.329 -0.857 . . . . 0.0 109.787 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.7 mm? -113.66 140.72 47.99 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.389 -0.82 . . . . 0.0 109.31 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -72.72 149.83 43.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.114 -0.991 . . . . 0.0 108.596 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.63 138.59 58.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.111 -0.993 . . . . 0.0 109.63 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 94.3 mt -107.39 120.11 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.01 10.45 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.344 -0.847 . . . . 0.0 109.685 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -120.9 137.62 54.5 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.506 -0.746 . . . . 0.0 109.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' A' ' 53' ' ' VAL . 7.2 tt0 -61.04 -34.25 74.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.125 -0.984 . . . . 0.0 108.797 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLN . 98.1 mt-10 -45.74 -29.94 1.45 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.37 -0.831 . . . . 0.0 108.852 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.71 -34.33 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.6 t -65.07 -45.1 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.97 91.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -0.853 . . . . 0.0 109.886 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.06 -47.95 83.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.028 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.27 -41.05 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.518 -0.739 . . . . 0.0 109.661 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' ASP . 78.3 mtp -68.44 -39.97 81.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.09 -1.006 . . . . 0.0 109.953 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.14 -50.01 75.4 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.141 -0.975 . . . . 0.0 109.304 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.55 -40.01 77.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.463 -0.773 . . . . 0.0 109.615 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 tp -70.13 -40.01 75.1 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 56.1 t0 -74.7 70.39 1.85 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 110.832 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -70.57 -32.9 70.47 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 6.8 p-10 -60.0 -39.9 87.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.795 -0.566 . . . . 0.0 110.826 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 88.87 89.23 1.18 Allowed Glycine 0 N--CA 1.486 2.021 0 N-CA-C 107.739 -2.144 . . . . 0.0 107.739 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 67' ' ' GLU . 18.5 p-10 -160.82 -16.59 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.637 -0.919 . . . . 0.0 111.064 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 80.36 0.07 85.84 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' A' ' 65' ' ' ASP . 98.6 mt-10 -140.48 166.37 24.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.55 -0.971 . . . . 0.0 108.808 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.6 m -103.82 102.89 12.7 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.982 -1.073 . . . . 0.0 108.915 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -70.55 177.11 3.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.582 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.45 -50.16 74.7 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.494 0.664 . . . . 0.0 110.158 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -60.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 109.218 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 75' ' ' ALA . 86.5 tt0 -60.02 -43.61 95.14 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.464 -1.397 . . . . 0.0 107.818 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.6 -39.97 18.2 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.07 -29.72 71.04 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.149 -0.97 . . . . 0.0 108.734 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.16 -55.32 22.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -56.29 -40.44 74.29 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.13 -45.13 99.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.8 p -68.81 -44.26 73.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 110.088 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' ALA . 59.7 mmm -57.55 -40.02 77.97 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.0 -28.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.5 m -83.97 -45.2 13.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -72.97 -18.05 61.41 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.26 0.553 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -84.42 -47.46 10.64 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.145 -0.972 . . . . 0.0 110.46 -178.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.362 0.601 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.08 -33.52 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 0.0 109.635 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.556 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -72.06 -32.84 67.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.162 -0.961 . . . . 0.0 109.368 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.75 -46.38 90.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.036 -1.04 . . . . 0.0 109.441 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.86 -40.05 96.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 109.833 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.28 89.9 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.111 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.5 ttm -61.84 -49.35 76.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.619 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.456 -0.777 . . . . 0.0 109.352 -178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.27 90.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.891 -1.131 . . . . 0.0 108.26 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -59.99 -50.85 72.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.447 -0.783 . . . . 0.0 110.212 -178.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.96 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.903 -1.123 . . . . 0.0 109.482 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -57.34 -40.01 77.11 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.488 -0.758 . . . . 0.0 109.038 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.91 -40.08 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 110.262 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.32 -58.13 8.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.861 -1.15 . . . . 0.0 111.228 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -60.03 -40.73 90.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.868 -1.145 . . . . 0.0 112.066 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.47 -40.02 94.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.319 -1.488 . . . . 0.0 109.975 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -71.94 -46.55 57.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.532 -0.73 . . . . 0.0 109.779 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.177 -0.952 . . . . 0.0 110.211 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.54 15.72 55.98 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -78.24 -44.17 26.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.257 . . . . 0.0 109.29 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -151.12 130.93 13.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.253 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.62 -179.85 36.02 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.86 149.74 37.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.306 -1.114 . . . . 0.0 110.101 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.607 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 61.3 mttm -70.0 146.57 50.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.485 -0.759 . . . . 0.0 109.47 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.607 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER 81.4 21.59 0.34 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.561 0.696 . . . . 0.0 109.301 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -150.78 107.56 3.54 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.568 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.0 mp -96.41 120.42 36.69 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.138 -0.976 . . . . 0.0 109.884 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 14.3 ttmm -92.47 166.91 12.3 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.563 -0.71 . . . . 0.0 109.58 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -52.6 -42.8 64.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.815 -1.178 . . . . 0.0 109.244 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.01 -39.56 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.881 . . . . 0.0 108.93 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' B' ' 28' ' ' LYS . 45.2 mt-10 -68.01 -39.21 83.21 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.508 HD13 ' O ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -61.64 -45.84 92.32 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 109.551 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.98 . . . . 0.0 109.492 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.21 -43.3 99.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.347 -0.846 . . . . 0.0 109.357 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -59.63 -48.51 81.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.425 -178.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.18 -39.96 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 110.262 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -75.32 -20.89 58.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -0.891 . . . . 0.0 111.643 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.63 -61.7 2.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.698 -1.251 . . . . 0.0 111.867 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -145.4 -14.44 0.5 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.75 -1.219 . . . . 0.0 110.474 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.518 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.4 mm? -82.39 111.8 18.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.845 -1.159 . . . . 0.0 109.058 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -156.29 -35.15 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -65.1 -37.29 87.03 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.598 -0.688 . . . . 0.0 109.257 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.475 ' C ' HD22 ' B' ' 44' ' ' LEU . 96.8 m-85 -99.11 -2.5 36.84 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.839 . . . . 0.0 109.688 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.475 HD22 ' C ' ' B' ' 43' ' ' PHE . 3.5 mm? -114.0 140.63 48.28 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.371 -0.831 . . . . 0.0 109.339 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.68 149.62 43.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 108.694 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.36 138.7 58.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.116 -0.99 . . . . 0.0 109.658 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -107.48 120.19 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.0 10.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.336 -0.853 . . . . 0.0 109.671 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -120.85 137.53 54.52 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.513 -0.742 . . . . 0.0 109.85 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' B' ' 53' ' ' VAL . 7.3 tt0 -61.02 -34.11 74.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.114 -0.991 . . . . 0.0 108.813 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -45.85 -30.05 1.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.36 -0.838 . . . . 0.0 108.863 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.52 -34.55 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.4 t -64.99 -44.71 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.78 . . . . 0.0 109.056 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.0 -41.01 91.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.14 -48.26 82.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.027 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.02 -40.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 109.675 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.408 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.2 mtp -68.37 -40.03 81.57 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.149 -0.969 . . . . 0.0 110.042 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -50.01 75.4 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.238 -0.914 . . . . 0.0 109.226 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.61 -39.98 76.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.47 -0.769 . . . . 0.0 109.531 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.0 tp -70.03 -40.35 75.23 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.503 -0.748 . . . . 0.0 109.005 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' B' ' 57' ' ' MET . 56.1 t0 -74.59 70.39 1.8 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.321 -0.862 . . . . 0.0 110.968 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -70.24 -32.92 70.99 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 6.7 p-10 -59.97 -40.01 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.792 -0.567 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 89.02 89.24 1.2 Allowed Glycine 0 N--CA 1.486 2.022 0 N-CA-C 107.694 -2.162 . . . . 0.0 107.694 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' B' ' 67' ' ' GLU . 19.2 p-10 -160.85 -16.51 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.641 -0.917 . . . . 0.0 111.082 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 80.39 -0.08 85.6 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.481 ' H ' ' CG ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -140.23 166.38 24.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.643 -0.916 . . . . 0.0 108.859 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.5 m -103.94 103.08 12.88 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.921 -1.112 . . . . 0.0 108.837 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -70.44 177.24 3.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 110.63 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.62 -50.07 74.98 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.419 0.628 . . . . 0.0 110.07 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.95 -51.61 68.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.207 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ALA . 86.5 tt0 -59.93 -43.8 94.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.446 -1.409 . . . . 0.0 107.806 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.49 -39.92 17.16 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.11 -29.89 71.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 108.628 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.03 -55.43 22.34 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.78 -40.92 73.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.85 -45.38 98.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 79.3 p -68.68 -44.32 74.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.572 -0.705 . . . . 0.0 110.104 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.451 ' O ' ' N ' ' B' ' 83' ' ' ALA . 58.8 mmm -57.59 -40.12 78.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.586 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.02 -28.24 44.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -84.36 -44.67 13.54 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -73.54 -17.79 61.16 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.736 -0.603 . . . . 0.0 109.709 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -84.6 -47.26 10.72 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.226 -0.921 . . . . 0.0 109.98 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.259 -0.9 . . . . 0.0 110.549 -178.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -59.93 -30.07 68.81 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.221 -0.924 . . . . 0.0 109.61 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.83 -34.03 73.09 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.093 -1.004 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.4 -45.15 94.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 110.001 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.186 -0.946 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.73 76.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 108.969 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mtp -62.04 -49.97 73.86 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.546 0.689 . . . . 0.0 109.143 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.09 -39.96 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.67 -0.644 . . . . 0.0 110.215 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.16 -39.98 73.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.063 -1.023 . . . . 0.0 109.482 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.52 -46.03 91.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.123 -0.986 . . . . 0.0 110.137 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.05 -51.36 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.936 -1.102 . . . . 0.0 109.68 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -59.9 -41.27 91.27 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 108.701 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.97 -43.52 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.377 -0.827 . . . . 0.0 109.982 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.47 -56.43 16.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.051 -1.031 . . . . 0.0 110.049 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -59.92 -43.59 94.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.939 -1.101 . . . . 0.0 111.398 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.02 -40.24 75.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.227 -1.546 . . . . 0.0 109.41 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.562 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.0 t80 -72.29 -40.39 67.6 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.578 0.704 . . . . 0.0 109.661 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 m -77.22 -19.93 55.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.326 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 19.81 36.11 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 120.964 -1.085 . . . . 0.0 110.434 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -82.67 -45.31 14.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.776 -1.426 . . . . 0.0 109.84 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -127.57 142.15 51.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.551 -0.718 . . . . 0.0 109.68 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.19 -123.83 28.69 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -134.93 157.91 45.65 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.444 -1.033 . . . . 0.0 109.583 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -68.08 168.57 11.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.405 -0.809 . . . . 0.0 109.065 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.0 t60 69.59 32.84 3.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 0.0 109.522 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -167.38 95.75 0.47 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.397 -0.815 . . . . 0.0 109.043 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.6 mm? -96.05 119.0 33.76 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.127 -0.983 . . . . 0.0 109.761 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -92.38 166.1 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.566 -0.709 . . . . 0.0 109.29 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.76 -39.86 82.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 109.721 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -64.09 -39.33 93.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.056 -1.028 . . . . 0.0 108.506 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.06 -34.37 73.12 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.803 -0.56 . . . . 0.0 109.742 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.04 -40.56 75.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.302 -0.874 . . . . 0.0 109.442 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.08 -40.06 88.25 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.842 0.83 . . . . 0.0 108.925 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.24 -46.09 90.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.746 -0.596 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.562 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.8 tt -59.98 -47.58 85.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.988 -1.07 . . . . 0.0 109.3 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -48.0 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.097 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -71.58 -20.07 62.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 111.056 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -57.47 -59.84 4.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.901 -1.124 . . . . 0.0 111.564 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -142.4 -10.21 0.84 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.725 -1.234 . . . . 0.0 111.1 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.81 130.53 35.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.682 -1.261 . . . . 0.0 108.797 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -163.58 -34.8 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.393 -0.817 . . . . 0.0 109.119 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.97 -18.03 62.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.07 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.424 ' C ' HD22 ' A' ' 44' ' ' LEU . 96.8 m-85 -103.29 -16.99 15.5 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.149 -0.97 . . . . 0.0 109.723 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.6 mm? -104.06 150.9 23.86 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 109.298 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -84.92 -76.5 0.31 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.356 -0.84 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -164.55 106.25 0.86 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.8 mt -99.35 104.21 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.078 -1.014 . . . . 0.0 109.092 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -112.73 -22.73 10.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.608 -0.683 . . . . 0.0 109.895 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -112.01 137.52 49.91 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.454 -0.779 . . . . 0.0 109.993 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -61.88 -30.11 70.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.324 -0.86 . . . . 0.0 109.595 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.36 -31.82 62.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.868 . . . . 0.0 109.585 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.88 -34.99 62.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 108.809 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.29 -42.22 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.633 -0.667 . . . . 0.0 109.458 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.23 88.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 0.0 109.844 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.75 -43.66 97.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 109.067 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.76 -40.07 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.578 -0.701 . . . . 0.0 109.503 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -41.68 95.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.724 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.15 -41.15 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.038 -1.038 . . . . 0.0 109.367 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 m -69.43 -40.48 77.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 110.023 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 76' ' ' PHE . 7.3 mp -73.03 -42.1 63.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.378 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 28.1 t0 -66.52 97.57 0.44 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 110.563 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -47.61 85.51 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.579 -0.7 . . . . 0.0 109.943 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.1 p-10 -92.45 -3.67 54.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.207 -0.933 . . . . 0.0 111.393 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.18 70.13 Favored Glycine 0 N--CA 1.496 2.684 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.436 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.546 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 33.6 p-10 -71.08 -6.96 43.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.796 -1.414 . . . . 0.0 110.432 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.15 -5.58 79.41 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 120.862 -1.149 . . . . 0.0 110.877 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -137.01 161.32 36.38 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -1.171 . . . . 0.0 108.117 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.75 106.61 17.17 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.87 -1.144 . . . . 0.0 108.916 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.33 174.75 3.76 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.878 0.846 . . . . 0.0 110.864 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.92 -50.83 72.21 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.354 0.597 . . . . 0.0 109.545 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -60.03 -53.55 56.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.41 -0.806 . . . . 0.0 109.2 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -59.97 -48.1 83.1 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -44.83 -39.84 5.66 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mtp -71.13 -22.12 62.11 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.383 -0.823 . . . . 0.0 109.909 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.45 -59.14 5.39 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.66 -1.275 . . . . 0.0 108.677 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.422 ' CD1' HD21 ' A' ' 60' ' ' LEU . 89.0 t80 -51.51 -39.86 58.47 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.15 -45.79 95.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -66.47 -44.83 81.66 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.311 -0.868 . . . . 0.0 110.207 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.1 ttt -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.199 -0.938 . . . . 0.0 109.611 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.41 -33.37 62.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -70.11 -41.2 74.32 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -64.59 -56.03 16.58 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.32 -37.82 2.4 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 0.0 109.654 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.01 -29.8 68.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.364 -0.835 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.96 -34.0 72.83 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.678 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.41 -45.16 94.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.031 -1.043 . . . . 0.0 110.011 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -59.87 -40.13 87.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.17 -0.956 . . . . 0.0 110.027 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.976 . . . . 0.0 108.869 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 73.8 mtp -62.24 -49.89 73.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.575 -0.703 . . . . 0.0 109.22 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -40.05 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.615 -0.678 . . . . 0.0 110.162 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.09 72.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.941 -1.099 . . . . 0.0 109.488 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.57 -46.04 91.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.069 -1.019 . . . . 0.0 110.187 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.01 -51.16 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.889 -1.132 . . . . 0.0 109.727 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -60.02 -41.36 92.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 108.657 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.09 -43.35 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -63.42 -56.6 14.88 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.987 -1.071 . . . . 0.0 110.096 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -59.84 -43.23 94.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.12 . . . . 0.0 111.406 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.02 -40.36 75.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.307 -1.496 . . . . 0.0 109.531 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 65.1 t80 -72.68 -40.03 66.59 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.542 0.686 . . . . 0.0 109.721 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.1 m -77.45 -19.67 55.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.441 -0.787 . . . . 0.0 110.333 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.09 19.62 37.68 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -82.62 -45.36 14.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.764 -1.433 . . . . 0.0 109.78 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -127.58 141.95 51.5 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.526 -0.734 . . . . 0.0 109.741 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.41 -123.82 28.27 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -135.28 157.88 45.78 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.482 -1.011 . . . . 0.0 109.479 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -68.02 168.64 11.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.083 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.4 t60 69.72 32.86 3.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.555 -0.716 . . . . 0.0 109.316 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -167.41 95.87 0.47 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 109.183 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.499 HD22 ' N ' ' B' ' 27' ' ' LEU . 3.6 mm? -96.35 119.0 34.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -92.36 166.02 12.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.612 -0.68 . . . . 0.0 109.259 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.52 -40.1 81.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.775 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 95.7 p -63.82 -39.58 94.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.056 . . . . 0.0 108.582 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.92 -34.4 73.43 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.218 0.533 . . . . 0.0 109.738 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.96 -40.76 75.21 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.281 -0.887 . . . . 0.0 109.534 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 108.932 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -60.06 -46.12 90.62 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.842 -0.536 . . . . 0.0 109.753 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.553 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 8.5 tt -59.96 -47.6 85.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.089 -1.007 . . . . 0.0 109.414 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -47.92 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.3 -0.875 . . . . 0.0 110.01 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.81 -20.01 61.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -57.71 -59.61 4.95 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.901 -1.125 . . . . 0.0 111.478 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -142.52 -10.19 0.83 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.737 -1.227 . . . . 0.0 111.082 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.71 130.29 35.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.678 -1.264 . . . . 0.0 108.846 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.1 t -163.08 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.519 -0.738 . . . . 0.0 109.187 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.76 -18.08 62.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.51 -0.744 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.426 ' C ' HD22 ' B' ' 44' ' ' LEU . 96.7 m-85 -103.28 -17.06 15.48 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.096 -1.002 . . . . 0.0 109.695 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' B' ' 44' ' ' LEU . 3.4 mm? -104.2 150.66 24.18 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.505 -0.747 . . . . 0.0 109.384 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.39 -76.65 0.3 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.326 -0.858 . . . . 0.0 108.869 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -164.7 106.45 0.85 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 109.323 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 96.4 mt -99.49 104.59 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.144 -0.973 . . . . 0.0 109.137 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -113.1 -22.56 10.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.533 -0.729 . . . . 0.0 109.897 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -111.95 137.55 49.79 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.448 -0.782 . . . . 0.0 110.017 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -62.14 -29.99 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 109.602 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.31 -31.87 61.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.371 -0.831 . . . . 0.0 109.525 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.97 -35.04 62.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 108.774 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.4 -41.83 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 109.508 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.06 -40.11 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.81 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -60.67 -43.86 97.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.76 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.581 -0.699 . . . . 0.0 109.565 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.6 -41.61 95.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.147 -0.97 . . . . 0.0 110.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.032 -1.042 . . . . 0.0 109.334 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 74.1 m -69.48 -40.42 77.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.28 -0.887 . . . . 0.0 110.049 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.409 HD21 ' CD1' ' B' ' 76' ' ' PHE . 8.1 mp -72.81 -42.88 63.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -0.88 . . . . 0.0 110.235 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 26.6 t0 -65.76 97.96 0.36 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.901 -1.124 . . . . 0.0 110.705 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.48 -48.18 82.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.577 -0.702 . . . . 0.0 109.91 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.9 p-10 -91.99 -3.96 55.18 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.222 -0.923 . . . . 0.0 111.397 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.72 29.11 69.85 Favored Glycine 0 N--CA 1.497 2.757 0 C-N-CA 119.511 -1.328 . . . . 0.0 110.459 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.2 p-10 -70.98 -7.01 43.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.938 -1.331 . . . . 0.0 110.503 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.08 -5.24 80.64 Favored Glycine 0 N--CA 1.497 2.736 0 O-C-N 120.88 -1.137 . . . . 0.0 110.805 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -137.11 161.01 37.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.258 -1.142 . . . . 0.0 108.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 67.8 m -103.57 106.78 17.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.947 -1.096 . . . . 0.0 108.843 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -68.6 175.05 3.7 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.875 0.845 . . . . 0.0 110.829 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.02 -50.65 72.91 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.351 0.596 . . . . 0.0 109.539 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -53.66 55.17 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.308 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.8 mt-10 -60.03 -48.15 82.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.963 -1.086 . . . . 0.0 108.382 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -44.94 -39.24 5.31 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.5 mtp -71.58 -22.06 61.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.16 -59.7 4.66 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.736 -1.228 . . . . 0.0 108.657 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.409 ' CD1' HD21 ' B' ' 60' ' ' LEU . 88.9 t80 -51.2 -39.92 57.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.12 -45.79 95.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -66.43 -44.81 81.85 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.98 -42.43 94.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.288 -0.882 . . . . 0.0 109.54 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.59 -33.16 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -69.98 -41.29 74.62 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 8.7 m -64.77 -55.84 17.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.29 -37.91 2.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.639 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.833 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -66.75 -30.5 70.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 110.041 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.09 -37.23 75.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.117 -0.989 . . . . 0.0 110.053 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.1 -41.35 97.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 109.89 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.1 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.813 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.96 71.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 0.0 109.488 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -59.93 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.326 -0.859 . . . . 0.0 109.429 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.03 -40.02 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 109.282 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.132 -0.98 . . . . 0.0 109.849 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.15 -44.19 95.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.137 -0.977 . . . . 0.0 111.16 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.09 -49.55 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.806 -1.183 . . . . 0.0 109.204 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.02 -39.9 87.46 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.91 -44.77 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.816 . . . . 0.0 110.141 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -60.33 -55.04 38.43 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.897 -1.127 . . . . 0.0 110.649 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.29 -39.99 84.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 111.178 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.78 -40.15 79.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.282 -1.511 . . . . 0.0 110.046 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -73.9 -44.0 56.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.248 -0.908 . . . . 0.0 110.383 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -69.67 -18.82 63.59 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.906 -1.122 . . . . 0.0 109.67 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.07 22.53 14.39 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -86.44 -60.36 2.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.228 -1.16 . . . . 0.0 109.366 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -139.64 160.89 38.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.398 -0.814 . . . . 0.0 109.738 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.77 170.89 38.82 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 7.1 t70 -49.94 -95.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.268 -1.136 . . . . 0.0 109.448 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.506 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 33.1 ttmt -165.95 123.97 1.5 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 109.767 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.1 t-80 79.32 1.12 2.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.783 -0.573 . . . . 0.0 110.139 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -108.19 125.43 51.62 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -95.62 119.2 33.71 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.887 -1.133 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -94.42 165.1 12.73 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.92 77.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.912 -1.117 . . . . 0.0 110.029 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.7 p -60.07 -39.9 87.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.987 -1.071 . . . . 0.0 108.958 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.28 -39.91 78.09 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.15 -43.93 98.12 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.24 -40.57 94.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.511 -0.743 . . . . 0.0 109.679 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.58 -44.68 81.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.135 -0.978 . . . . 0.0 110.212 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.507 HD11 ' OE1' ' A' ' 39' ' ' GLU . 59.0 tp -59.91 -49.04 79.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 0.0 109.965 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 89.8 mt -60.38 -43.54 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.935 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.064 -1.023 . . . . 0.0 111.312 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.32 -13.54 52.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.969 -1.082 . . . . 0.0 112.637 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.507 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.8 mt-10 -128.09 -89.96 0.52 Allowed 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.92 -1.113 . . . . 0.0 112.253 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 85.9 mt -75.16 129.29 37.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.077 -1.015 . . . . 0.0 111.059 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -150.04 -40.3 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -75.85 -18.6 59.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' C ' HD22 ' A' ' 44' ' ' LEU . 97.5 m-85 -99.25 -11.93 20.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.253 -0.905 . . . . 0.0 109.965 -178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.487 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.8 mm? -107.44 -108.94 0.31 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -176.9 143.58 0.43 Allowed 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -65.36 127.51 32.05 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.778 -1.201 . . . . 0.0 108.018 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -108.47 129.99 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.277 -0.889 . . . . 0.0 109.939 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -106.87 -26.2 11.34 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.633 -0.667 . . . . 0.0 109.521 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -110.59 132.96 53.74 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.444 -0.785 . . . . 0.0 110.397 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.3 tt0 -64.65 -38.89 92.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.791 . . . . 0.0 109.356 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -45.39 -33.18 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.426 -0.797 . . . . 0.0 109.693 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.69 -32.41 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 108.747 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' GLN . 66.7 t -69.95 -42.72 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.623 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.03 -40.21 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.245 -0.909 . . . . 0.0 110.743 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -60.35 -45.3 93.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.031 -1.043 . . . . 0.0 108.624 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.65 -39.89 82.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-O 121.221 0.534 . . . . 0.0 110.145 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mtp -67.48 -39.89 85.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.234 -0.916 . . . . 0.0 110.76 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.53 -43.69 84.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.033 -1.042 . . . . 0.0 108.974 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.0 -39.99 75.54 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.03 75.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.707 -0.62 . . . . 0.0 109.789 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.26 105.73 1.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.198 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 74.4 mm-40 -61.34 -39.96 92.49 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.443 -0.786 . . . . 0.0 109.465 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.83 -9.3 31.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.188 -0.945 . . . . 0.0 111.1 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 29.44 73.24 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.412 -1.375 . . . . 0.0 109.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -70.24 -3.94 19.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.06 -1.259 . . . . 0.0 109.546 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.37 52.37 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.4 mp0 -130.24 164.88 23.58 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.056 -1.261 . . . . 0.0 108.686 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.7 t -100.22 109.0 21.23 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.265 -0.897 . . . . 0.0 109.657 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.5 t0 -70.97 175.41 5.16 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.809 0.814 . . . . 0.0 110.583 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 44.2 t80 -62.97 -50.22 71.65 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.29 0.567 . . . . 0.0 110.678 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -60.13 -53.84 52.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.8 mt-10 -59.96 -44.17 94.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.809 -1.182 . . . . 0.0 107.84 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -49.19 -39.95 31.39 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.68 -30.05 71.2 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -65.49 -51.53 59.39 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.58 -39.97 62.12 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -42.64 90.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 81' ' ' THR . 42.1 p -70.58 -46.31 63.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.442 -0.786 . . . . 0.0 110.157 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 25.4 ttt -51.81 -40.06 59.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.097 -1.002 . . . . 0.0 108.994 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.47 -27.63 39.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' SER . 24.2 m -79.96 -49.16 12.26 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.1 p -70.1 -14.32 62.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.533 -0.729 . . . . 0.0 109.368 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . -71.27 -45.42 63.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.335 -0.853 . . . . 0.0 109.341 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 87.3 m . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.0 109.125 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.272 0.558 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.5 -30.12 69.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.112 -0.992 . . . . 0.0 110.025 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.3 tp -70.15 -37.31 75.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.989 . . . . 0.0 110.03 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.0 -41.6 97.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.96 -40.05 87.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.928 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -50.8 72.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.0 109.407 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.07 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.425 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.03 -39.93 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.589 -0.694 . . . . 0.0 109.407 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.02 91.0 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.22 -0.925 . . . . 0.0 109.796 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.04 -44.29 94.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.139 -0.976 . . . . 0.0 111.188 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.781 -1.199 . . . . 0.0 109.244 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.78 -39.98 86.71 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.99 -44.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.11 -55.24 36.3 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.863 -1.148 . . . . 0.0 110.659 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.21 -40.08 84.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 111.376 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.7 -39.91 80.28 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.277 -1.514 . . . . 0.0 110.172 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.22 -43.93 55.16 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.255 -0.903 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.9 t -69.63 -18.76 63.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.887 -1.133 . . . . 0.0 109.735 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.19 22.34 15.85 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.29 -60.15 2.08 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -1.208 . . . . 0.0 109.419 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.79 160.78 39.12 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.392 -0.818 . . . . 0.0 109.69 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 93.98 170.76 38.46 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 7.0 t70 -50.0 -95.06 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.183 -1.187 . . . . 0.0 109.408 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.503 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 33.1 ttmt -165.99 123.99 1.49 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.1 t-80 79.31 1.22 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.699 -0.625 . . . . 0.0 110.15 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -108.25 125.11 51.3 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.28 119.06 33.14 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.824 -1.172 . . . . 0.0 110.489 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -94.31 165.2 12.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.749 -0.594 . . . . 0.0 109.402 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.99 77.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.983 -1.073 . . . . 0.0 110.018 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -60.08 -39.69 86.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.074 -1.016 . . . . 0.0 109.06 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.59 -39.88 77.03 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.92 -44.08 97.71 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.21 -40.42 93.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.424 -0.797 . . . . 0.0 109.761 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.63 -44.66 81.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -0.96 . . . . 0.0 110.289 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.502 HD11 ' OE1' ' B' ' 39' ' ' GLU . 59.0 tp -59.99 -49.09 79.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.323 -0.861 . . . . 0.0 109.821 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 89.3 mt -60.05 -43.84 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.141 -0.974 . . . . 0.0 110.09 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.23 -39.99 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.117 -0.989 . . . . 0.0 111.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.14 -13.65 52.33 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.874 -1.141 . . . . 0.0 112.57 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.502 ' OE1' HD11 ' B' ' 35' ' ' LEU . 98.8 mt-10 -128.0 -89.99 0.52 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.855 -1.153 . . . . 0.0 112.332 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 85.6 mt -75.24 129.01 36.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.079 -1.013 . . . . 0.0 111.044 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -149.96 -40.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -75.95 -18.45 59.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.487 -0.758 . . . . 0.0 109.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.489 ' C ' HD22 ' B' ' 44' ' ' LEU . 97.5 m-85 -99.29 -12.07 20.69 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.291 -0.881 . . . . 0.0 109.969 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.489 HD22 ' C ' ' B' ' 43' ' ' PHE . 3.8 mm? -107.33 -108.8 0.31 Allowed 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -177.03 143.4 0.4 Allowed 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.21 127.57 32.25 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.839 -1.163 . . . . 0.0 108.106 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.48 130.03 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.341 -0.849 . . . . 0.0 109.905 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -107.03 -26.1 11.3 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.582 -0.699 . . . . 0.0 109.401 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.79 132.71 53.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.512 -0.743 . . . . 0.0 110.495 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.2 tt0 -64.27 -39.27 93.6 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.692 0.758 . . . . 0.0 109.282 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -45.21 -33.12 2.16 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.656 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -69.81 -32.22 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 69.2 t -70.0 -42.67 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.57 -0.706 . . . . 0.0 109.589 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.1 -40.14 92.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.265 -0.897 . . . . 0.0 110.855 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.38 -45.41 93.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.157 -0.965 . . . . 0.0 108.643 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.49 -39.96 82.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.225 0.536 . . . . 0.0 110.037 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 94.9 mtp -67.52 -40.01 85.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.154 -0.966 . . . . 0.0 110.698 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.37 -43.74 85.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.954 -1.091 . . . . 0.0 109.088 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.22 -39.9 74.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.08 75.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.6 -0.688 . . . . 0.0 109.674 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.1 105.67 1.75 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.121 -0.987 . . . . 0.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -61.17 -40.02 92.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.423 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.72 -9.51 31.67 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.23 -0.919 . . . . 0.0 111.13 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.32 73.11 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -4.18 19.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.072 -1.252 . . . . 0.0 109.344 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.63 -17.8 50.34 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 55.2 mp0 -129.79 164.54 23.83 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.023 -1.28 . . . . 0.0 108.639 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 t -99.84 109.11 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.1 t0 -71.01 175.48 5.13 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.835 0.826 . . . . 0.0 110.65 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 43.6 t80 -62.95 -50.16 71.91 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.231 0.539 . . . . 0.0 110.627 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -54.06 50.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.079 -1.013 . . . . 0.0 109.551 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.8 mt-10 -59.99 -44.32 94.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.756 -1.215 . . . . 0.0 107.77 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -49.01 -40.03 29.25 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.57 -30.15 71.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.37 -51.51 59.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.68 -40.03 62.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -42.84 90.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 81' ' ' THR . 41.9 p -70.57 -46.25 63.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.137 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 25.3 ttt -51.84 -40.0 59.79 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.13 -0.981 . . . . 0.0 108.999 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -27.63 39.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' B' ' 78' ' ' SER . 23.8 m -79.9 -49.43 11.92 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.4 p -70.0 -14.18 62.58 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.566 -0.709 . . . . 0.0 109.393 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . -71.33 -45.7 62.37 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 109.343 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.162 179.789 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.399 0.618 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 56.2 mp0 -59.93 -33.21 71.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.522 -0.736 . . . . 0.0 109.829 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.38 -34.24 75.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.94 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.3 -41.04 96.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.033 -1.042 . . . . 0.0 109.249 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.07 -39.57 86.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 0.0 109.926 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.14 94.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.105 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.4 -48.17 68.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.174 -0.954 . . . . 0.0 109.064 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -40.51 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.597 -0.689 . . . . 0.0 110.642 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.854 -1.154 . . . . 0.0 110.159 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.98 -41.14 91.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.684 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.0 -50.26 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.684 -1.26 . . . . 0.0 109.353 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.56 -39.98 89.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 0.0 109.459 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.67 -49.24 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.445 -0.785 . . . . 0.0 109.571 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.0 -53.25 60.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.246 -0.909 . . . . 0.0 109.393 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -59.99 -40.58 89.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 112.117 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -70.8 -40.2 72.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.002 -1.686 . . . . 0.0 110.471 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -77.51 -48.42 17.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.377 -0.827 . . . . 0.0 110.583 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.6 t -78.33 -19.9 52.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.949 -1.094 . . . . 0.0 110.146 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.36 11.01 72.56 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -83.03 -40.63 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.241 . . . . 0.0 108.658 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -148.12 150.98 34.83 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.14 -169.26 49.65 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.053 -1.07 . . . . 0.0 110.529 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -95.36 141.17 29.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.475 -1.015 . . . . 0.0 110.033 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 30.3 ttmt -62.15 138.75 58.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.538 -0.726 . . . . 0.0 109.94 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 1.6 t-160 79.2 27.66 0.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.608 0.718 . . . . 0.0 109.318 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -153.4 100.6 2.45 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.1 mp -99.82 124.39 45.06 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.346 -0.846 . . . . 0.0 109.928 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -93.03 165.82 12.66 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -58.4 -39.98 81.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.033 -1.042 . . . . 0.0 109.417 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -62.76 -40.42 97.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.891 -1.131 . . . . 0.0 108.799 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.09 -32.9 71.19 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.502 0.668 . . . . 0.0 109.311 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -69.03 -40.09 78.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.482 -0.761 . . . . 0.0 109.307 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.2 -40.03 90.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.427 -0.796 . . . . 0.0 110.73 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.01 -43.67 95.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.008 -1.057 . . . . 0.0 109.95 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 39' ' ' GLU . 61.9 tp -59.94 -47.75 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.317 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' GLU . 96.7 mt -61.62 -42.36 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.19 -40.41 95.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.872 -1.143 . . . . 0.0 108.855 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.52 -49.9 10.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.492 ' OE1' HD11 ' A' ' 35' ' ' LEU . 99.0 mt-10 -112.16 170.24 8.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.665 0.745 . . . . 0.0 110.567 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt 54.71 24.87 5.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.795 -0.566 . . . . 0.0 110.739 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 109.257 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -70.04 -19.63 63.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 110.622 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -98.68 -17.44 18.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.092 -1.005 . . . . 0.0 109.972 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.47 109.77 4.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -122.79 -23.71 5.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.477 -0.764 . . . . 0.0 109.981 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 9.3 pt-20 -71.05 -113.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.102 . . . . 0.0 109.798 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mt 47.91 69.63 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.003 -1.061 . . . . 0.0 109.118 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -90.08 -19.87 23.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -119.13 138.84 52.64 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.208 -0.933 . . . . 0.0 110.246 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -62.53 -38.72 91.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.168 -0.958 . . . . 0.0 108.634 178.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -47.91 -33.62 7.87 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.01 -34.35 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 108.766 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLN . 67.1 t -67.19 -47.32 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.423 -0.798 . . . . 0.0 109.467 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.85 -41.43 95.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.23 -0.918 . . . . 0.0 109.839 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.04 -47.51 86.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.293 -0.879 . . . . 0.0 108.926 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.561 -0.712 . . . . 0.0 109.505 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.4 ttm -60.0 -44.13 94.75 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.176 -0.952 . . . . 0.0 109.963 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -42.38 94.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.122 -0.986 . . . . 0.0 109.521 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -65.08 -39.95 93.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.327 -0.858 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.7 -40.05 76.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.58 -0.7 . . . . 0.0 110.283 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.9 114.58 4.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.111 -0.993 . . . . 0.0 110.705 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -59.95 -43.17 95.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.741 -0.599 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -94.95 -4.98 45.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.052 -1.03 . . . . 0.0 110.646 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.42 33.23 68.03 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 119.764 -1.208 . . . . 0.0 110.279 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -77.36 2.05 17.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.126 -1.22 . . . . 0.0 109.797 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.37 11.4 71.61 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.52 160.06 40.84 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.01 104.84 13.79 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.827 -1.171 . . . . 0.0 109.862 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.49 174.47 4.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.897 0.856 . . . . 0.0 110.723 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.02 -49.9 75.85 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.527 0.679 . . . . 0.0 109.212 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.08 -54.51 45.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.431 -0.793 . . . . 0.0 109.674 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -59.94 -46.13 90.39 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -47.84 -37.99 15.07 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 tpt -66.97 -30.13 70.17 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.56 -53.52 50.46 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.8 -40.15 69.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.29 -45.98 95.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -64.8 -42.49 94.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.364 -0.835 . . . . 0.0 109.929 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.4 tpp -55.28 -39.95 70.44 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.215 -0.928 . . . . 0.0 108.713 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.0 -33.33 54.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.21 -0.931 . . . . 0.0 108.558 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.67 -45.89 90.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 0.0 109.299 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.1 p -67.77 -52.23 39.68 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.118 -0.988 . . . . 0.0 108.779 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.63 -40.13 18.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.236 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.317 -0.864 . . . . 0.0 108.924 179.74 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 55.3 mp0 -60.03 -33.06 71.51 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.558 -0.714 . . . . 0.0 109.835 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.56 -34.14 75.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 110.014 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -61.29 -41.13 96.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.05 . . . . 0.0 109.227 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -59.99 -39.44 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.95 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.33 94.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.145 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.2 -48.42 67.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.281 -0.887 . . . . 0.0 109.052 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.57 -40.57 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.534 -0.729 . . . . 0.0 110.699 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.76 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.749 -1.219 . . . . 0.0 110.344 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.06 -41.24 91.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.162 -0.961 . . . . 0.0 110.693 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.97 -50.17 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.705 -1.247 . . . . 0.0 109.358 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.54 -40.13 90.41 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.361 -0.837 . . . . 0.0 109.395 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.62 -49.25 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.422 -0.799 . . . . 0.0 109.479 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.01 -53.29 59.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.276 -0.89 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.98 -40.36 88.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.139 -0.975 . . . . 0.0 112.152 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.01 -40.27 71.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 119.997 -1.69 . . . . 0.0 110.367 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -77.29 -48.49 17.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.813 . . . . 0.0 110.676 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -78.71 -19.57 52.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.911 -1.118 . . . . 0.0 109.99 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.4 10.97 72.75 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -82.95 -40.64 19.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 108.681 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -148.11 151.2 35.22 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -169.41 49.28 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.444 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.68 141.11 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.503 -0.998 . . . . 0.0 109.924 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 31.3 ttmt -62.03 138.68 58.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.483 -0.761 . . . . 0.0 109.869 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 1.6 t-160 79.33 27.53 0.38 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.606 0.717 . . . . 0.0 109.183 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -153.06 100.63 2.5 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.446 ' N ' HD12 ' B' ' 27' ' ' LEU . 10.9 mp -99.78 124.26 44.88 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.301 -0.874 . . . . 0.0 110.02 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -92.86 165.51 12.87 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -58.25 -40.03 80.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.084 -1.01 . . . . 0.0 109.347 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 t -62.82 -40.29 96.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.881 -1.137 . . . . 0.0 108.932 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.18 -32.48 70.44 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.468 0.652 . . . . 0.0 109.332 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.33 -40.17 77.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.451 -0.781 . . . . 0.0 109.241 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.22 -39.91 89.92 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.323 -0.861 . . . . 0.0 110.652 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.01 -43.85 94.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.963 -1.086 . . . . 0.0 109.788 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.491 HD11 ' OE1' ' B' ' 39' ' ' GLU . 61.6 tp -59.97 -47.61 85.11 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.188 -0.945 . . . . 0.0 109.18 -178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.9 mt -61.82 -42.25 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.167 -0.958 . . . . 0.0 109.934 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.42 -40.31 96.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.737 -1.227 . . . . 0.0 108.757 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -80.3 -49.91 10.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.752 -0.592 . . . . 0.0 110.625 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.491 ' OE1' HD11 ' B' ' 35' ' ' LEU . 99.2 mt-10 -112.28 170.0 8.47 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.591 0.71 . . . . 0.0 110.513 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.4 mt 55.05 24.78 6.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.841 -0.537 . . . . 0.0 110.697 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.8 m -59.96 -39.98 87.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.063 -1.023 . . . . 0.0 109.208 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.01 -19.79 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.483 -0.761 . . . . 0.0 110.744 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.5 -18.08 18.38 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.111 -0.993 . . . . 0.0 109.991 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.77 109.86 4.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.153 -0.967 . . . . 0.0 108.745 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -122.67 -24.09 4.97 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.472 -0.768 . . . . 0.0 110.025 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' B' ' 46' ' ' GLU . 9.4 pt-20 -70.94 -113.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 109.828 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mt 48.02 69.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.119 -0.988 . . . . 0.0 109.061 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.1 -19.85 23.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.219 -0.925 . . . . 0.0 109.881 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -119.05 139.16 52.2 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.289 -0.882 . . . . 0.0 110.227 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.53 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 0.9 OUTLIER -62.92 -38.57 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.1 -1.0 . . . . 0.0 108.542 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -48.2 -33.33 8.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.07 -34.81 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 50' ' ' GLN . 68.4 t -66.76 -47.2 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -0.806 . . . . 0.0 109.671 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.29 -41.11 96.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.154 -0.967 . . . . 0.0 109.827 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -61.29 -47.28 86.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.192 -0.942 . . . . 0.0 108.994 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.61 -40.13 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.401 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttm -60.0 -44.08 94.77 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.117 -0.989 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -42.55 94.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 109.434 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -64.9 -40.01 94.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 109.904 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.8 -40.05 76.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.277 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.85 114.73 4.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -60.04 -43.1 95.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.852 -0.53 . . . . 0.0 109.928 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -95.03 -4.94 45.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.051 -1.031 . . . . 0.0 110.595 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 33.54 69.4 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.267 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -77.41 1.95 17.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.124 -1.221 . . . . 0.0 109.767 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.74 11.23 73.08 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.81 160.08 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.1 t -109.7 104.88 13.94 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.889 -1.132 . . . . 0.0 109.898 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.6 174.84 4.6 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.877 0.846 . . . . 0.0 110.691 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.612 0.72 . . . . 0.0 109.244 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.97 -54.53 45.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 0.0 109.603 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -60.02 -46.37 89.73 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -47.66 -38.15 14.33 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.93 -30.0 70.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.15 -53.12 54.51 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -54.79 -40.23 69.25 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -46.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.9 p -64.56 -42.39 95.7 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.909 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.9 tpp -55.52 -40.02 71.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.108 -0.995 . . . . 0.0 108.684 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.78 -33.23 55.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.83 -46.0 89.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.825 . . . . 0.0 109.022 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.3 p -67.63 -52.33 39.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.104 -0.998 . . . . 0.0 108.758 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.52 -40.11 17.88 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.258 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.272 -0.892 . . . . 0.0 108.935 179.792 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.66 -34.97 73.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -68.61 -34.02 75.04 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.975 -1.078 . . . . 0.0 108.83 179.28 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.62 -43.16 97.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.2 -0.937 . . . . 0.0 109.556 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.99 -40.15 88.19 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 110.042 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.24 78.39 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.595 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.25 -50.01 75.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.239 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.99 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.504 -0.748 . . . . 0.0 110.253 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.97 -41.29 91.66 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.769 -1.207 . . . . 0.0 109.642 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.01 -46.41 89.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 110.159 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -53.56 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.941 -1.1 . . . . 0.0 109.762 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.524 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.34 -41.49 93.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.002 . . . . 0.0 109.473 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.448 HG11 HD23 ' B' ' 3' ' ' LEU . 76.0 t -69.95 -43.87 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.283 -0.885 . . . . 0.0 109.941 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.74 -53.68 52.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.987 -1.071 . . . . 0.0 110.304 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 19' ' ' GLY . 86.2 t60 -59.79 -47.69 84.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.91 -1.119 . . . . 0.0 111.634 -177.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -61.02 -40.34 93.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 119.988 -1.695 . . . . 0.0 109.791 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -71.8 -47.03 56.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.082 -1.011 . . . . 0.0 109.235 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -73.53 -19.39 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.077 -1.015 . . . . 0.0 109.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -84.46 17.8 27.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -85.53 -52.39 5.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.969 -1.312 . . . . 0.0 108.746 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.04 159.97 21.07 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.88 -35.49 12.67 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 2.3 p30 -60.28 136.54 58.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.913 -1.346 . . . . 0.0 109.402 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.36 -70.14 0.56 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.088 -1.008 . . . . 0.0 110.441 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -107.68 8.13 28.84 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.287 -0.883 . . . . 0.0 111.329 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -107.49 129.11 54.99 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.015 -1.053 . . . . 0.0 109.539 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 9.2 mp -99.79 130.04 45.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.277 -0.889 . . . . 0.0 109.385 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' H ' ' HB3' ' A' ' 31' ' ' GLU . 53.1 tttp -92.8 164.8 13.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.638 -0.664 . . . . 0.0 109.628 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -50.32 -51.76 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.959 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.6 m -61.41 -39.96 92.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.091 -1.005 . . . . 0.0 109.402 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 86.3 tt0 -69.5 -40.0 77.27 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.14 -48.23 82.56 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.645 -0.66 . . . . 0.0 109.885 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -59.94 -40.06 87.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.404 -0.81 . . . . 0.0 110.086 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.94 -40.98 90.78 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.869 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -57.44 -44.59 84.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.266 -0.896 . . . . 0.0 109.574 -178.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 39' ' ' GLU . 92.3 mt -70.03 -40.01 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.871 -1.143 . . . . 0.0 109.79 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' OG ' ' A' ' 41' ' ' SER . 98.5 m-20 -62.96 -41.0 99.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.768 -1.207 . . . . 0.0 109.836 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.96 -50.06 10.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.43 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' ILE . 82.2 tt0 -111.65 160.0 17.66 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.549 -0.719 . . . . 0.0 109.855 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 tp 69.93 -12.45 0.48 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.337 -0.852 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 53.9 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.977 -1.077 . . . . 0.0 109.471 179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -69.35 -9.95 55.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.508 -0.745 . . . . 0.0 110.915 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -101.16 -19.94 15.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.813 -1.179 . . . . 0.0 109.831 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD12 ' H ' ' A' ' 46' ' ' GLU . 2.1 pp -163.36 152.41 14.5 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.974 -1.079 . . . . 0.0 110.167 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 54.5 mp0 -133.05 35.64 3.51 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' H ' HD12 ' A' ' 44' ' ' LEU . 98.5 mt-10 -79.98 -9.72 59.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 110.492 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -78.11 129.23 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.847 -1.158 . . . . 0.0 109.472 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -154.87 -44.01 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 109.662 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -113.15 142.79 45.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.96 -38.98 84.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.315 -0.866 . . . . 0.0 109.567 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.05 -33.26 67.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.576 -0.703 . . . . 0.0 109.78 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -70.07 -36.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.1 -41.36 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.568 -0.707 . . . . 0.0 109.142 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.39 -40.1 93.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.139 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.1 -50.07 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -0.98 . . . . 0.0 108.915 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.29 -40.97 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.526 -0.734 . . . . 0.0 109.408 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.7 ttt -67.39 -40.08 85.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.347 -0.845 . . . . 0.0 110.531 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -47.27 86.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.968 -1.083 . . . . 0.0 108.377 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -63.05 -40.02 96.46 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.2 -48.39 81.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.568 -0.708 . . . . 0.0 109.966 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.95 100.85 0.44 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.34 -0.85 . . . . 0.0 110.587 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -40.72 90.4 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.657 -0.652 . . . . 0.0 109.277 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -88.35 -11.89 44.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.143 -0.973 . . . . 0.0 109.938 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.03 31.38 69.55 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -72.4 -4.47 30.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 111.037 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 -6.62 71.59 Favored Glycine 0 N--CA 1.497 2.705 0 O-C-N 120.675 -1.266 . . . . 0.0 110.519 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -136.68 162.83 32.08 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.261 -1.141 . . . . 0.0 108.278 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -104.07 107.39 18.26 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.87 -1.144 . . . . 0.0 109.991 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.54 176.52 5.36 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.049 0.928 . . . . 0.0 111.397 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -60.05 -49.91 75.78 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.004 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.36 -55.08 39.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.342 -0.848 . . . . 0.0 109.263 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -60.02 -44.25 94.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.859 -1.151 . . . . 0.0 108.37 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -48.76 -40.0 27.13 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.5 tpt -69.48 -30.35 68.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.6 -57.32 11.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.036 -1.04 . . . . 0.0 108.402 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -49.96 -39.68 41.46 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.95 -41.25 91.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.9 p -71.63 -49.07 43.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.236 -0.915 . . . . 0.0 109.74 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -52.13 -40.95 62.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.557 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.69 -28.52 27.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 121.077 -1.015 . . . . 0.0 108.564 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 m -69.87 -43.16 72.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -70.03 -59.01 3.17 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.4 -40.85 8.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.707 -0.621 . . . . 0.0 109.787 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.302 -1.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.27 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.78 -34.54 73.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.108 -0.995 . . . . 0.0 109.548 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.527 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -69.03 -33.97 74.46 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.958 -1.089 . . . . 0.0 108.835 179.403 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.67 -42.99 98.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.246 -0.908 . . . . 0.0 109.458 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.06 -40.15 88.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.972 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.51 77.35 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.081 -1.012 . . . . 0.0 108.663 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.14 -50.07 75.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.885 . . . . 0.0 109.189 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.48 -0.763 . . . . 0.0 110.191 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.43 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.81 -1.181 . . . . 0.0 109.529 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.96 -46.68 88.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.988 . . . . 0.0 110.077 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.99 -53.69 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.89 -1.131 . . . . 0.0 109.691 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 95.9 m-20 -60.13 -41.66 93.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.128 -0.982 . . . . 0.0 109.522 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.411 HG11 HD23 ' A' ' 3' ' ' LEU . 60.7 t -70.0 -43.44 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -62.02 -53.68 52.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.982 -1.074 . . . . 0.0 110.328 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' B' ' 19' ' ' GLY . 86.2 t60 -59.82 -47.6 85.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.866 -1.146 . . . . 0.0 111.526 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.0 OUTLIER -61.24 -40.03 92.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.138 -1.601 . . . . 0.0 109.837 -179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -71.98 -46.93 55.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.131 -0.98 . . . . 0.0 109.142 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.7 p -73.71 -19.42 60.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.069 -1.02 . . . . 0.0 109.851 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -84.4 17.72 27.7 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -85.43 -52.29 5.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.008 -1.289 . . . . 0.0 108.782 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.05 159.97 21.06 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.95 -35.41 12.93 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' B' ' 23' ' ' ASP . 2.3 p30 -60.43 136.53 58.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.849 -1.383 . . . . 0.0 109.401 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -81.27 -70.06 0.56 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 110.439 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -107.97 8.31 28.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.324 -0.86 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -107.59 129.08 55.02 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.045 -1.034 . . . . 0.0 109.583 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.477 HD12 ' N ' ' B' ' 27' ' ' LEU . 9.2 mp -99.88 129.92 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.319 -0.863 . . . . 0.0 109.313 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.419 ' H ' ' HB3' ' B' ' 31' ' ' GLU . 53.9 tttp -92.93 164.68 13.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.533 -0.729 . . . . 0.0 109.757 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -50.25 -51.71 42.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.374 -0.828 . . . . 0.0 109.971 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.001 -1.062 . . . . 0.0 109.408 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.419 ' HB3' ' H ' ' B' ' 28' ' ' LYS . 86.0 tt0 -69.4 -40.0 77.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.421 HD23 ' SD ' ' B' ' 57' ' ' MET . 63.1 tp -61.65 -47.85 83.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.708 -0.62 . . . . 0.0 109.834 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.322 -0.861 . . . . 0.0 110.045 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.03 -41.04 91.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 108.835 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.485 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -57.29 -44.68 84.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.617 -178.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' B' ' 39' ' ' GLU . 90.8 mt -70.02 -40.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.89 -1.131 . . . . 0.0 109.862 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.415 ' O ' ' OG ' ' B' ' 41' ' ' SER . 98.6 m-20 -63.08 -40.95 99.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.778 -1.201 . . . . 0.0 109.778 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.93 -50.0 11.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.356 -0.84 . . . . 0.0 109.622 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.473 ' O ' ' O ' ' B' ' 36' ' ' ILE . 80.9 tt0 -111.77 159.94 17.79 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.494 -0.754 . . . . 0.0 109.71 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp 70.0 -12.52 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.424 -0.797 . . . . 0.0 110.562 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 39' ' ' GLU . 54.3 m -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.951 -1.093 . . . . 0.0 109.426 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -69.22 -9.88 55.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.49 -0.756 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -101.19 -20.0 15.48 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.946 -1.096 . . . . 0.0 109.767 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.517 HD12 ' H ' ' B' ' 46' ' ' GLU . 2.1 pp -163.44 152.55 14.48 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.804 -1.185 . . . . 0.0 110.223 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 54.4 mp0 -133.17 35.72 3.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.517 ' H ' HD12 ' B' ' 44' ' ' LEU . 98.5 mt-10 -79.98 -9.71 59.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.513 -0.742 . . . . 0.0 110.52 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.0 128.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.155 . . . . 0.0 109.545 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -154.87 -43.99 0.09 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.271 -0.893 . . . . 0.0 109.659 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -113.12 142.63 45.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.534 -0.729 . . . . 0.0 109.355 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -38.96 84.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.01 -33.25 66.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.578 -0.701 . . . . 0.0 109.684 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.15 -36.28 67.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.963 -1.086 . . . . 0.0 108.09 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.57 -41.43 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -64.96 -40.36 94.88 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.393 -0.817 . . . . 0.0 110.219 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.22 -49.79 74.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.156 -0.965 . . . . 0.0 108.979 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.33 -41.15 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.457 -0.777 . . . . 0.0 109.282 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.421 ' SD ' HD23 ' B' ' 32' ' ' LEU . 27.1 ttt -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.396 -0.815 . . . . 0.0 110.498 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -47.16 86.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.061 -1.024 . . . . 0.0 108.442 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -63.12 -39.96 96.21 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.566 0.698 . . . . 0.0 109.16 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.37 -47.88 84.17 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.31 100.9 0.51 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.637 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.94 -40.9 90.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.66 -0.65 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -88.35 -11.81 45.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.985 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.0 31.13 69.62 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -72.26 -4.54 30.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -1.196 . . . . 0.0 110.987 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.06 -5.91 73.93 Favored Glycine 0 N--CA 1.496 2.691 0 O-C-N 120.705 -1.247 . . . . 0.0 110.54 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -136.97 162.66 32.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -1.137 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 38.1 t -103.81 107.25 18.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.967 -1.083 . . . . 0.0 109.997 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.56 176.52 5.37 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.076 0.941 . . . . 0.0 111.491 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -59.97 -49.88 75.93 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.357 0.598 . . . . 0.0 110.059 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.64 -54.93 40.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.227 -0.921 . . . . 0.0 109.22 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.7 mt-10 -59.95 -44.17 94.58 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.81 -1.181 . . . . 0.0 108.371 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -48.79 -39.99 27.32 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.2 tpt -69.56 -30.18 67.91 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.95 -57.12 11.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.017 -1.052 . . . . 0.0 108.304 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -49.87 -39.8 40.55 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.79 -41.51 92.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.9 p -71.7 -48.95 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 0.0 109.812 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -52.21 -40.72 61.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.8 -28.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.195 -0.941 . . . . 0.0 108.591 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.1 m -69.87 -43.2 72.31 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -69.96 -59.01 3.18 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.56 -40.74 9.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.573 -0.705 . . . . 0.0 109.715 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.0 t . . . . . 0 N--CA 1.489 1.504 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.201 -179.846 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.99 -37.66 80.3 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 110.207 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.02 -35.75 74.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.019 -1.05 . . . . 0.0 109.798 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.0 109.717 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -62.8 -40.1 96.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.105 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.71 89.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.141 -0.974 . . . . 0.0 109.639 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 109.125 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.25 -34.41 53.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.775 -0.578 . . . . 0.0 109.719 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.11 86.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.891 -1.131 . . . . 0.0 109.651 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.7 mp -61.58 -45.83 92.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.085 -1.01 . . . . 0.0 110.723 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.818 -1.176 . . . . 0.0 109.221 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -40.11 88.11 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -41.02 78.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.493 -0.754 . . . . 0.0 109.666 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.25 -57.36 7.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.132 -0.98 . . . . 0.0 110.26 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -59.78 -41.35 90.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.104 -0.997 . . . . 0.0 111.243 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.01 -39.97 75.53 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.293 -1.504 . . . . 0.0 108.835 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 47.2 t80 -73.32 -46.66 48.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.613 -0.68 . . . . 0.0 110.281 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -70.02 -21.08 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.89 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.62 20.71 36.76 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -82.18 -47.75 12.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.19 146.27 33.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.439 -0.788 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.74 -120.71 5.23 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -139.0 147.64 42.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.48 -1.012 . . . . 0.0 109.372 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 55.1 pttt -70.01 144.85 52.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.43 -0.794 . . . . 0.0 109.785 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 15.6 t60 81.77 13.59 0.59 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -147.9 104.65 3.59 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.47 130.08 47.64 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.173 -0.955 . . . . 0.0 110.507 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -91.23 162.98 14.41 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -59.77 -39.97 86.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.01 -1.056 . . . . 0.0 109.346 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 32.9 t -62.08 -40.04 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 108.952 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.94 -30.76 68.22 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -68.62 -39.95 80.59 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.9 -41.9 98.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.522 -0.736 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mp0 -60.46 -44.34 95.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.044 -1.035 . . . . 0.0 110.082 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.507 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 8.7 tt -59.91 -47.68 84.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.933 . . . . 0.0 110.258 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.18 -46.99 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 110.835 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -70.0 -21.55 63.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.56 -1.59 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.93 -1.106 . . . . 0.0 112.084 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.84 -49.63 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.322 -1.486 . . . . 0.0 111.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.48 120.63 25.73 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.61 -1.306 . . . . 0.0 109.791 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 p -150.47 -35.71 0.15 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.306 -0.871 . . . . 0.0 109.708 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.729 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -79.17 -15.83 57.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.247 -0.908 . . . . 0.0 110.894 -179.204 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD2' ' CD2' ' A' ' 42' ' ' HIS . 64.9 m-85 -102.77 -18.97 14.9 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.019 -1.051 . . . . 0.0 109.473 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 ' C ' ' A' ' 43' ' ' PHE . 10.1 mp -112.86 163.41 14.66 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 57.4 mp0 -71.68 3.29 4.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.847 . . . . 0.0 109.463 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 43.5 tt0 78.51 21.27 0.8 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' GLU . 37.1 mm 46.88 95.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.447 -0.783 . . . . 0.0 109.929 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -80.0 -69.97 0.55 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.631 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -107.27 157.88 17.57 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.485 -0.76 . . . . 0.0 109.764 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.92 -37.77 80.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 0.0 109.756 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.09 39.44 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.264 -0.898 . . . . 0.0 109.915 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.67 -34.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.083 -1.011 . . . . 0.0 108.968 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.449 -0.782 . . . . 0.0 109.93 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.14 -41.87 93.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.278 -0.889 . . . . 0.0 110.408 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.75 -49.91 75.6 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.134 -0.979 . . . . 0.0 108.767 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.16 -40.65 83.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.732 -0.605 . . . . 0.0 109.581 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.58 -51.31 69.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.234 -0.916 . . . . 0.0 110.165 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.03 -41.68 99.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.062 -1.024 . . . . 0.0 108.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.43 -39.94 81.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.08 -39.97 75.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.483 -0.761 . . . . 0.0 109.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.31 104.09 1.41 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.074 -1.016 . . . . 0.0 109.636 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.23 -39.97 94.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.575 -0.703 . . . . 0.0 109.822 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -92.47 -7.62 46.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.24 -0.912 . . . . 0.0 111.265 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.53 73.01 Favored Glycine 0 N--CA 1.493 2.454 0 C-N-CA 119.502 -1.332 . . . . 0.0 109.947 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -70.36 -1.53 10.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.013 -1.287 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.49 -19.5 23.42 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.364 -0.922 . . . . 0.0 110.94 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 27.1 mp0 -124.26 173.65 8.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.155 -1.203 . . . . 0.0 109.055 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.8 104.08 13.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.351 -0.843 . . . . 0.0 109.512 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.14 176.09 4.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.418 -0.801 . . . . 0.0 110.512 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.02 -48.1 83.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.62 -0.675 . . . . 0.0 109.379 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -58.54 -55.13 39.02 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.956 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -43.14 95.54 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.963 -1.085 . . . . 0.0 108.473 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -50.46 -46.67 56.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.56 -39.97 80.83 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.08 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 110.416 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -91.89 -27.71 17.75 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.99 -42.14 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 t -66.78 -45.66 77.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.865 . . . . 0.0 108.942 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.38 -39.95 58.21 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.05 -1.031 . . . . 0.0 109.241 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.7 -29.86 47.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.5 p -81.41 -46.55 14.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 109.441 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 p -70.15 -15.11 62.91 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 109.872 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.79 65.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.251 -0.906 . . . . 0.0 109.048 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 95.3 m . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.58 -0.7 . . . . 0.0 109.305 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.03 -37.55 80.09 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.201 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -69.96 -35.91 74.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.086 -1.009 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -66.32 -40.11 89.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 109.766 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.03 -40.1 96.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.986 -1.071 . . . . 0.0 109.987 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.61 89.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.926 . . . . 0.0 109.847 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.02 -49.74 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.326 -0.859 . . . . 0.0 109.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.26 -34.52 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.1 86.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.961 -1.087 . . . . 0.0 109.638 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.52 -45.94 92.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.111 -0.993 . . . . 0.0 110.714 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.08 -49.96 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.806 -1.184 . . . . 0.0 109.185 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.59 -41.08 77.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.783 . . . . 0.0 109.646 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.21 -57.35 7.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.224 -0.922 . . . . 0.0 110.289 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.7 -41.46 90.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.107 -0.996 . . . . 0.0 111.246 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.94 -40.05 75.72 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.293 -1.504 . . . . 0.0 108.87 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.51 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 46.3 t80 -73.21 -46.94 47.47 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.465 -0.772 . . . . 0.0 110.396 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -70.03 -20.88 63.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.775 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.52 20.5 37.7 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -82.17 -47.62 12.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.121 -1.223 . . . . 0.0 109.452 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.13 146.38 33.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.373 -0.829 . . . . 0.0 109.584 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.77 -120.78 5.25 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -138.94 147.67 42.56 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.492 -1.005 . . . . 0.0 109.366 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 55.5 pttt -70.13 144.68 51.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.336 -0.852 . . . . 0.0 109.812 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 15.9 t60 82.08 13.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -147.89 104.73 3.6 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.48 130.01 47.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.043 -1.036 . . . . 0.0 110.473 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.11 162.92 14.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.72 -40.04 86.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.027 -1.046 . . . . 0.0 109.319 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.443 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 32.6 t -61.96 -40.12 94.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.988 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.93 -30.7 68.17 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.755 0.788 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.5 -39.95 81.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -62.02 -41.89 98.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.589 -0.695 . . . . 0.0 110.627 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 30' ' ' SER . 2.6 mp0 -60.33 -44.52 95.42 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.016 -1.052 . . . . 0.0 110.053 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.51 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 8.9 tt -60.0 -47.41 85.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.151 -0.968 . . . . 0.0 110.299 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.3 -47.0 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.202 -0.937 . . . . 0.0 110.834 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -70.02 -21.36 63.2 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.109 -0.995 . . . . 0.0 111.087 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -86.64 -1.77 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.879 -1.138 . . . . 0.0 112.23 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.64 -49.68 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.282 -1.511 . . . . 0.0 111.544 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -82.23 120.68 25.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.559 -1.338 . . . . 0.0 109.731 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 53.5 p -150.58 -35.73 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.348 -0.845 . . . . 0.0 109.692 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.716 ' CD2' ' H ' ' B' ' 42' ' ' HIS . 0.1 OUTLIER -79.33 -15.82 57.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.33 -0.856 . . . . 0.0 110.847 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.559 ' CD2' ' CD2' ' B' ' 42' ' ' HIS . 64.8 m-85 -102.77 -18.78 14.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.021 -1.049 . . . . 0.0 109.509 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.489 HD12 ' C ' ' B' ' 43' ' ' PHE . 10.2 mp -112.91 163.38 14.72 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 57.3 mp0 -71.75 3.5 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.486 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.6 tt0 78.26 21.35 0.85 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.415 0.626 . . . . 0.0 109.437 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' B' ' 46' ' ' GLU . 36.5 mm 46.92 95.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.443 -0.786 . . . . 0.0 109.957 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -79.96 -70.11 0.54 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.362 -0.836 . . . . 0.0 109.472 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -107.26 158.09 17.4 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.423 -0.798 . . . . 0.0 109.819 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -60.11 -37.65 80.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 0.0 109.674 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.04 39.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.249 -0.907 . . . . 0.0 109.931 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.62 -34.72 71.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.081 -1.012 . . . . 0.0 108.935 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.27 -46.5 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.16 -41.83 93.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.209 -0.932 . . . . 0.0 110.369 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.66 -49.9 75.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.103 -0.998 . . . . 0.0 108.792 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.27 -40.74 83.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.73 -0.606 . . . . 0.0 109.549 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.59 -51.19 69.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.292 -0.88 . . . . 0.0 110.254 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.0 -41.77 99.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 108.809 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -68.32 -39.99 81.78 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.0 -40.41 75.3 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.429 -0.794 . . . . 0.0 109.829 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.72 104.05 1.23 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.148 -0.97 . . . . 0.0 109.643 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.21 -40.0 94.65 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.544 -0.723 . . . . 0.0 109.884 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -92.49 -7.62 46.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.242 -0.911 . . . . 0.0 111.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.42 73.0 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.0 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.431 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 35.4 p-10 -70.12 -1.74 10.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.023 -1.28 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -19.48 23.85 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.355 -0.926 . . . . 0.0 110.862 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 27.1 mp0 -124.22 173.84 8.08 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.151 -1.205 . . . . 0.0 109.036 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.1 m -108.93 104.14 13.32 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.439 -0.788 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.25 176.18 4.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.427 -0.796 . . . . 0.0 110.505 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.0 -48.32 82.21 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.472 0.653 . . . . 0.0 109.292 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -58.44 -55.06 39.88 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.989 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -43.2 95.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.983 -1.073 . . . . 0.0 108.445 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.46 -46.47 56.73 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.8 -39.8 79.91 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.23 -13.1 2.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.051 -1.03 . . . . 0.0 110.411 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -91.72 -27.79 17.84 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.96 -42.32 89.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 45.5 t -66.71 -45.81 77.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 108.904 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.21 -40.03 57.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.147 -0.971 . . . . 0.0 109.308 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.6 -29.8 47.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 109.714 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 58.7 p -81.5 -46.67 14.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.165 -0.959 . . . . 0.0 109.4 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 p -70.03 -15.2 62.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.527 -0.733 . . . . 0.0 109.927 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.85 65.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 109.042 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.6 m . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.345 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.445 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 97.4 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.19 -32.58 74.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 110.215 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.97 -38.14 75.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.1 mp0 -64.33 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.037 -1.039 . . . . 0.0 109.532 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.75 87.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.067 -1.02 . . . . 0.0 109.315 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.92 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.12 -48.02 83.46 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.191 -0.943 . . . . 0.0 109.123 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.05 -37.81 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.533 -0.729 . . . . 0.0 109.35 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.16 78.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.879 -1.138 . . . . 0.0 109.415 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.03 -47.99 83.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.98 -1.075 . . . . 0.0 110.575 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.05 -51.2 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.011 -1.056 . . . . 0.0 110.119 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.03 -40.53 89.68 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.346 -0.846 . . . . 0.0 109.135 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.0 -41.46 79.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.431 -0.793 . . . . 0.0 109.772 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.88 -55.9 28.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.105 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -59.9 -40.1 87.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.119 -0.988 . . . . 0.0 111.586 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.69 -40.31 92.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 119.977 -1.702 . . . . 0.0 110.399 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -71.34 -42.36 68.64 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.259 -0.9 . . . . 0.0 110.089 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.419 ' OG ' HD11 ' A' ' 27' ' ' LEU . 54.6 m -72.95 -13.22 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.645 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.59 13.95 62.69 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 121.142 -0.974 . . . . 0.0 110.824 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -68.92 -39.79 79.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.821 -1.399 . . . . 0.0 109.031 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -96.59 1.5 51.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.553 -0.717 . . . . 0.0 109.68 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.73 -9.97 75.32 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 39.5 p-10 -99.62 106.12 18.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.324 -1.104 . . . . 0.0 109.433 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 64.7 mttp -93.05 146.41 23.66 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.146 -0.971 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 10.6 t-80 74.76 31.39 0.92 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.615 -0.678 . . . . 0.0 109.994 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -158.97 101.04 1.6 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -100.25 121.12 40.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.276 -0.89 . . . . 0.0 111.234 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -92.31 164.53 13.48 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.15 -38.58 73.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.112 -0.992 . . . . 0.0 110.018 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -34.29 74.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.035 -1.041 . . . . 0.0 109.151 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.54 -30.43 64.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.563 -0.711 . . . . 0.0 109.169 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.22 -41.79 89.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.422 -0.798 . . . . 0.0 109.456 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -63.92 -44.88 91.58 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.355 -0.841 . . . . 0.0 110.185 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -42.24 79.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.782 -1.199 . . . . 0.0 109.925 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.518 HD11 ' OE2' ' A' ' 39' ' ' GLU . 57.8 tp -60.16 -49.08 79.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.873 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.19 -47.74 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 0.0 110.41 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -60.04 -41.4 92.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.068 -1.02 . . . . 0.0 111.101 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -72.66 -41.66 65.18 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.012 -1.055 . . . . 0.0 110.896 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.518 ' OE2' HD11 ' A' ' 35' ' ' LEU . 99.9 mt-10 -87.44 -75.06 0.42 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.454 -0.779 . . . . 0.0 111.44 -177.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.8 mp -82.01 120.76 25.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.035 . . . . 0.0 110.597 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -131.26 -60.05 0.96 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -81.82 -10.76 59.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.191 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -98.73 -0.56 42.52 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 tp -145.92 145.02 30.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.024 -1.047 . . . . 0.0 109.187 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 58.2 mp0 -69.93 142.23 52.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 108.9 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 51.5 mp0 -64.64 139.87 58.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -99.98 120.53 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.368 -0.832 . . . . 0.0 109.751 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -96.48 -22.88 16.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.892 . . . . 0.0 109.685 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -115.17 130.03 56.81 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' VAL . 54.5 tt0 -60.74 -38.9 86.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.653 -0.654 . . . . 0.0 110.246 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -46.24 -32.5 3.09 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.159 -0.963 . . . . 0.0 109.617 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.87 -31.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.326 -0.858 . . . . 0.0 108.893 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' GLN . 55.3 t -69.61 -41.15 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 108.869 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.15 -40.01 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.571 -0.706 . . . . 0.0 109.838 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -65.88 -40.62 91.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 108.767 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.05 -40.17 88.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.644 -0.66 . . . . 0.0 109.366 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 ttm -66.17 -44.39 84.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.28 -50.33 74.07 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 109.627 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -70.08 -39.99 75.26 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.509 -0.745 . . . . 0.0 109.651 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.05 -39.76 75.53 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.473 -0.767 . . . . 0.0 109.768 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 65.1 t0 -66.16 110.53 3.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.324 -0.86 . . . . 0.0 110.241 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.06 -49.69 76.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.686 -0.633 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.2 p-10 -94.19 -1.22 54.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.039 -1.038 . . . . 0.0 111.264 -178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.74 71.99 Favored Glycine 0 N--CA 1.49 2.294 0 O-C-N 120.632 -1.293 . . . . 0.0 110.274 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 39.3 p-10 -72.58 -0.86 14.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.358 . . . . 0.0 109.717 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.71 28.37 65.33 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -159.43 159.5 33.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.8 t -113.92 103.54 11.27 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.096 -1.003 . . . . 0.0 109.203 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 35.3 t0 -71.03 175.42 5.2 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.144 0.973 . . . . 0.0 111.242 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.497 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 51.9 t80 -64.04 -44.25 93.07 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.717 0.77 . . . . 0.0 109.201 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -59.41 -54.83 42.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.949 -1.094 . . . . 0.0 109.403 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.0 mt-10 -60.17 -42.23 94.52 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.814 -1.179 . . . . 0.0 108.783 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -46.4 -39.92 11.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.3 mmm -69.05 -28.87 66.93 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.97 -55.58 27.95 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.2 -40.06 61.01 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.89 -43.8 96.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 81' ' ' THR . 66.1 m -71.48 -47.69 53.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.893 . . . . 0.0 110.037 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.2 ttt -51.33 -40.47 59.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.427 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.4 -26.14 38.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' SER . 17.6 m -81.06 -49.92 10.29 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.523 0.678 . . . . 0.0 109.203 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 p -70.71 -16.72 62.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.387 -0.82 . . . . 0.0 110.145 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.04 94.36 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 108.7 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.446 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.24 -32.78 74.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.071 . . . . 0.0 110.185 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.09 -37.69 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.994 -1.066 . . . . 0.0 110.529 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' B' ' 4' ' ' GLU . 1.8 mp0 -64.07 -40.21 95.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.043 -1.036 . . . . 0.0 109.458 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.31 -39.96 88.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.965 -1.084 . . . . 0.0 109.42 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.372 -0.83 . . . . 0.0 109.559 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttm -60.0 -47.93 83.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.099 -1.001 . . . . 0.0 109.053 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.06 -37.48 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.55 -0.719 . . . . 0.0 109.235 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.11 80.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.75 -1.219 . . . . 0.0 109.488 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.94 -48.13 82.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.145 -0.972 . . . . 0.0 110.498 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.91 -51.2 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.904 -1.123 . . . . 0.0 110.171 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.07 -40.35 89.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.95 -41.72 79.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 109.889 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.0 -55.81 29.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.787 -1.196 . . . . 0.0 111.11 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -60.03 -40.01 87.84 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.211 -0.93 . . . . 0.0 111.527 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.82 -39.96 91.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.097 -1.627 . . . . 0.0 110.44 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -71.58 -42.37 67.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.326 -0.858 . . . . 0.0 110.102 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.43 ' OG ' HD11 ' B' ' 27' ' ' LEU . 51.5 m -73.12 -13.05 61.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.0 109.522 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.31 13.62 63.16 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -68.97 -39.79 79.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.835 -1.391 . . . . 0.0 109.272 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -96.7 1.83 51.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.452 -0.78 . . . . 0.0 109.659 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.81 -10.68 72.92 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.448 ' O ' ' OD1' ' B' ' 23' ' ' ASP . 40.1 p-10 -99.0 106.41 18.66 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.238 -1.154 . . . . 0.0 109.44 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 63.9 mttp -93.21 146.41 23.71 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.277 -0.889 . . . . 0.0 109.749 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.421 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 11.1 t-80 74.7 31.06 0.97 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.6 0.714 . . . . 0.0 109.952 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -158.55 101.16 1.67 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.49 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.8 mp -100.35 120.99 40.78 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.156 -0.965 . . . . 0.0 111.247 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -91.72 164.12 13.84 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -56.95 -38.98 73.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.266 -0.896 . . . . 0.0 109.723 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -60.68 -34.46 74.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -72.16 -30.55 65.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.02 -41.69 90.64 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.479 -0.763 . . . . 0.0 109.413 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -63.98 -45.08 90.65 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.204 -0.935 . . . . 0.0 110.244 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.49 -42.4 78.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 109.763 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.497 HD11 ' OE2' ' B' ' 39' ' ' GLU . 54.6 tp -59.88 -49.17 78.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.461 -0.774 . . . . 0.0 110.026 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.94 -47.83 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.837 . . . . 0.0 110.337 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.16 -41.65 93.24 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.949 -1.094 . . . . 0.0 111.029 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -72.12 -41.9 66.7 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.037 -1.039 . . . . 0.0 110.942 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.497 ' OE2' HD11 ' B' ' 35' ' ' LEU . 99.5 mt-10 -87.51 -75.03 0.42 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 111.291 -177.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.496 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.0 mp -82.23 120.78 25.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.954 -1.091 . . . . 0.0 110.628 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 63.1 p -131.2 -60.08 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -81.54 -10.97 59.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.162 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -98.87 -0.9 41.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.348 -0.845 . . . . 0.0 109.956 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.36 145.17 31.08 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.05 -1.031 . . . . 0.0 109.242 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 58.7 mp0 -70.12 142.01 52.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 0.0 108.87 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 52.9 mp0 -64.42 140.03 58.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.298 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.6 mt -100.4 120.56 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.338 -0.851 . . . . 0.0 109.507 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -96.48 -22.24 17.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.053 -1.029 . . . . 0.0 109.711 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -115.41 130.23 56.82 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.292 -0.88 . . . . 0.0 110.822 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' B' ' 53' ' ' VAL . 54.3 tt0 -60.9 -38.91 87.32 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.652 -0.655 . . . . 0.0 110.305 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -46.26 -32.6 3.17 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 -31.25 52.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.289 -0.882 . . . . 0.0 108.922 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.5 t -69.51 -41.34 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.423 -0.798 . . . . 0.0 108.922 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -61.95 -40.12 94.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.982 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.08 -40.12 90.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.153 -0.967 . . . . 0.0 108.845 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.27 -40.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.705 -0.622 . . . . 0.0 109.382 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 5.8 ttm -66.36 -44.26 83.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.328 -0.858 . . . . 0.0 110.043 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.29 -50.36 73.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.405 -0.809 . . . . 0.0 109.725 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.5 m -70.1 -40.24 75.06 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.645 0.736 . . . . 0.0 109.41 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.0 -40.0 75.55 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.674 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 65.3 t0 -65.77 110.59 2.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.259 -0.901 . . . . 0.0 110.344 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.28 -49.35 77.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.767 -0.583 . . . . 0.0 110.77 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 48.5 p-10 -94.56 -0.85 54.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.032 -1.042 . . . . 0.0 111.362 -178.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.74 28.56 71.83 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 119.545 -1.312 . . . . 0.0 110.283 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.505 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 39.6 p-10 -72.56 -1.08 14.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.878 -1.366 . . . . 0.0 109.71 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 26.58 66.51 Favored Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.886 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -158.84 159.51 35.14 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 22.3 t -113.22 103.24 11.14 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.968 -1.082 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.4 t0 -70.9 175.61 4.95 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 122.273 1.035 . . . . 0.0 111.104 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.519 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 52.6 t80 -64.33 -44.17 92.37 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.178 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.18 -55.0 40.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.035 -1.041 . . . . 0.0 109.346 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 75' ' ' ALA . 97.1 mt-10 -59.82 -42.67 94.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.811 -1.181 . . . . 0.0 108.92 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -46.35 -39.94 11.1 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -68.87 -29.23 67.49 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 0.0 108.577 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.08 -55.3 30.4 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.15 -40.06 60.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -43.79 96.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 81' ' ' THR . 70.9 m -71.05 -48.36 53.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.544 -0.723 . . . . 0.0 109.947 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ttt -51.0 -40.42 58.06 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.965 . . . . 0.0 109.586 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 78.0 t -65.75 -25.85 37.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.432 ' N ' ' O ' ' B' ' 78' ' ' SER . 15.7 m -81.39 -49.88 10.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -70.64 -16.98 62.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.1 94.93 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 108.681 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.259 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -59.97 -39.28 85.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.281 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -70.76 -36.13 72.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.859 -1.151 . . . . 0.0 109.419 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 85.8 tt0 -69.36 -40.06 77.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.034 -1.042 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.94 -39.86 86.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.578 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -60.01 -46.98 87.71 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.2 ttp -61.58 -50.54 72.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.404 -0.81 . . . . 0.0 109.555 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -40.11 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 90.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.286 -0.884 . . . . 0.0 109.694 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.93 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.93 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.092 . . . . 0.0 109.109 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.99 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.277 -0.89 . . . . 0.0 108.705 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.45 -40.07 83.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.45 -54.75 31.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.136 -0.977 . . . . 0.0 110.547 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.97 -41.19 91.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.15 -0.968 . . . . 0.0 111.755 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.28 -40.06 77.98 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.403 -1.436 . . . . 0.0 110.157 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -74.96 -45.82 39.7 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.484 -0.887 . . . . 0.0 110.275 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -70.37 -20.16 62.98 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 110.127 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.19 20.69 20.04 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -88.65 -55.81 3.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.273 . . . . 0.0 108.77 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -139.85 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.87 179.04 33.36 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -60.11 -54.47 45.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.239 . . . . 0.0 109.648 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -176.77 -66.63 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.437 -0.789 . . . . 0.0 110.008 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.626 ' CE1' ' NZ ' ' A' ' 26' ' ' LYS . 29.1 p-80 -109.51 25.04 12.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.109 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 25' ' ' HIS . 13.9 mptt -105.26 121.55 44.09 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -98.09 121.97 40.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.342 -0.849 . . . . 0.0 109.152 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -90.93 163.36 14.39 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.933 -1.104 . . . . 0.0 108.988 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.2 p -63.91 -40.04 95.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.03 -1.044 . . . . 0.0 108.561 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.03 -32.56 70.76 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.616 0.722 . . . . 0.0 109.189 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.98 -40.53 75.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 109.57 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -63.41 -40.08 96.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.364 -0.835 . . . . 0.0 109.988 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.8 -43.59 83.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 109.309 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.517 HD11 ' CD ' ' A' ' 39' ' ' GLU . 60.8 tp -59.93 -46.5 89.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.501 -0.749 . . . . 0.0 109.348 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.2 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.737 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -39.96 94.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.126 -0.984 . . . . 0.0 110.304 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -78.88 -51.55 9.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.172 -0.955 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.517 ' CD ' HD11 ' A' ' 35' ' ' LEU . 97.2 mt-10 -86.04 -73.93 0.43 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.074 -1.016 . . . . 0.0 111.439 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 36' ' ' ILE . 5.4 mp -88.79 94.9 10.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.863 -1.148 . . . . 0.0 110.857 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 t -140.37 -36.06 0.49 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -73.55 -7.0 50.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.62 -0.675 . . . . 0.0 110.404 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CZ ' ' OE2' ' B' ' 4' ' ' GLU . 84.7 m-85 -113.9 -9.53 13.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.066 -1.021 . . . . 0.0 109.031 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.7 mp -107.31 174.67 5.78 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.836 0.827 . . . . 0.0 110.347 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -89.52 13.81 12.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.764 -0.585 . . . . 0.0 110.042 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.02 96.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.4 -0.812 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 93.3 mt -67.26 123.89 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.037 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -103.54 -24.77 13.39 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.599 -0.688 . . . . 0.0 109.938 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -100.55 136.48 40.36 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.207 -0.933 . . . . 0.0 110.273 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -68.75 -39.94 80.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.329 -0.857 . . . . 0.0 109.56 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.36 -31.95 55.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.82 . . . . 0.0 109.799 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.41 -33.88 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.99 -44.64 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.09 -49.94 75.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.681 -0.637 . . . . 0.0 109.896 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -59.92 -49.93 75.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.01 -40.96 89.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tpt -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.319 -0.863 . . . . 0.0 109.709 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.0 -41.99 93.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.142 -0.974 . . . . 0.0 108.915 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -66.57 -40.02 88.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.48 -0.762 . . . . 0.0 109.317 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -71.68 -41.16 69.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.618 -0.677 . . . . 0.0 109.905 -179.743 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.62 99.62 0.61 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.031 -1.043 . . . . 0.0 110.657 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.09 -39.9 90.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 108.947 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -86.41 -10.78 53.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.494 -0.754 . . . . 0.0 110.387 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.68 74.11 Favored Glycine 0 N--CA 1.492 2.42 0 C-N-CA 119.872 -1.156 . . . . 0.0 110.279 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 38.2 p-10 -72.54 -5.67 38.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.94 -1.329 . . . . 0.0 110.244 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.01 -9.18 40.01 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.748 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 14.6 pt-20 -137.95 164.5 28.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.933 -1.333 . . . . 0.0 107.784 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.81 107.71 17.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.847 -1.158 . . . . 0.0 110.095 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -72.88 -179.04 2.98 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.79 0.805 . . . . 0.0 110.487 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.06 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.349 0.595 . . . . 0.0 110.216 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.488 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 25.8 mp0 -58.64 -54.62 45.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.097 -1.002 . . . . 0.0 109.752 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -41.06 91.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.919 -1.113 . . . . 0.0 108.324 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -51.53 -39.95 58.71 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -65.9 -28.36 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.189 -0.945 . . . . 0.0 108.988 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.34 -53.65 33.76 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.17 -40.0 45.45 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -41.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 81' ' ' THR . 59.7 p -70.07 -48.19 58.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ttt -47.93 -40.57 22.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.37 -0.831 . . . . 0.0 109.427 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.92 -27.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' SER . 12.4 m -83.06 -47.21 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -69.02 -16.56 63.74 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.603 -0.686 . . . . 0.0 109.959 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.29 -64.66 1.05 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 108.62 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.671 -0.643 . . . . 0.0 109.621 -179.861 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 58.4 mp0 -59.95 -39.47 85.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.915 . . . . 0.0 110.308 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.58 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.0 OUTLIER -70.8 -36.03 72.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.096 . . . . 0.0 109.413 179.557 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.489 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 86.3 tt0 -69.57 -39.92 77.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.993 -1.067 . . . . 0.0 110.236 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.07 -39.86 87.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.218 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.578 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -60.03 -46.88 88.04 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.9 ttp -61.85 -50.35 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.157 -0.964 . . . . 0.0 109.026 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.88 90.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.842 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.98 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.295 -0.878 . . . . 0.0 110.067 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.061 -1.025 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 108.654 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.55 -40.06 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -0.95 . . . . 0.0 109.158 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.53 -54.74 31.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.178 -0.951 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -60.06 -40.71 90.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.087 -1.008 . . . . 0.0 111.825 -177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.43 -39.92 77.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.367 -1.458 . . . . 0.0 110.162 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -75.37 -45.39 39.56 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 110.253 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -70.28 -20.52 63.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.218 -0.926 . . . . 0.0 110.084 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.99 20.62 19.45 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.74 -55.8 3.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.011 -1.288 . . . . 0.0 108.803 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.82 159.85 41.24 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.4 179.29 32.54 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' B' ' 23' ' ' ASP . 35.7 t0 -60.52 -54.85 40.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.212 -1.17 . . . . 0.0 109.494 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -176.25 -66.72 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 110.072 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.659 ' CE1' ' HZ2' ' B' ' 26' ' ' LYS . 27.2 p-80 -109.38 25.29 11.97 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.47 -0.768 . . . . 0.0 109.978 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.659 ' HZ2' ' CE1' ' B' ' 25' ' ' HIS . 13.6 mptt -105.23 121.48 43.94 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 91.8 mt -97.82 121.74 40.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.271 -0.893 . . . . 0.0 109.186 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -91.08 163.5 14.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -59.96 -40.02 87.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.957 -1.089 . . . . 0.0 109.066 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -63.64 -39.96 95.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.969 -1.082 . . . . 0.0 108.573 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.04 -32.7 70.95 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.627 0.727 . . . . 0.0 109.168 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.93 -40.68 75.38 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.619 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -63.37 -40.27 96.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.394 -0.816 . . . . 0.0 109.88 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -66.57 -43.77 84.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.105 -0.997 . . . . 0.0 109.396 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.519 HD11 ' CD ' ' B' ' 39' ' ' GLU . 62.1 tp -59.88 -47.07 87.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.143 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' B' ' 40' ' ' LEU . 93.1 mt -61.39 -44.18 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.186 -0.946 . . . . 0.0 109.767 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.44 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 110.338 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -79.12 -51.65 9.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.519 ' CD ' HD11 ' B' ' 35' ' ' LEU . 98.1 mt-10 -85.84 -73.58 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.029 -1.044 . . . . 0.0 111.495 -177.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 36' ' ' ILE . 5.3 mp -89.0 94.74 10.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -140.2 -36.24 0.49 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -73.32 -7.12 50.24 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.58 -0.7 . . . . 0.0 110.482 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 4' ' ' GLU . 83.5 m-85 -113.81 -9.83 13.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.077 -1.014 . . . . 0.0 108.963 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.488 ' N ' HD12 ' B' ' 44' ' ' LEU . 10.8 mp -106.99 174.73 5.76 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.86 0.838 . . . . 0.0 110.385 -178.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.46 13.72 13.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.849 -0.532 . . . . 0.0 109.968 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.03 96.24 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.578 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.45 123.96 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 110.022 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -103.76 -24.38 13.33 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.535 -0.728 . . . . 0.0 109.975 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -100.8 136.65 40.33 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.162 -0.961 . . . . 0.0 110.151 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -68.68 -40.06 80.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.824 . . . . 0.0 109.447 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.18 -32.16 54.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.448 -0.783 . . . . 0.0 109.744 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.38 -33.97 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 0.0 108.841 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.94 -44.75 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.96 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.521 -0.737 . . . . 0.0 109.996 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.96 -49.8 76.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 108.362 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.9 -40.97 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.619 -0.676 . . . . 0.0 109.295 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.5 tpt -60.02 -50.07 75.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 0.0 109.786 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 0.0 108.876 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -66.54 -40.05 88.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.772 . . . . 0.0 109.342 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.577 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -71.24 -41.88 69.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.625 -0.672 . . . . 0.0 109.866 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -66.29 99.82 0.57 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.93 -1.106 . . . . 0.0 110.721 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.19 -39.62 89.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.954 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -86.63 -10.67 53.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.442 -0.786 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.91 24.36 74.34 Favored Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.809 -1.186 . . . . 0.0 110.174 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 38.4 p-10 -72.33 -5.92 39.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.966 -1.314 . . . . 0.0 110.351 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.27 -9.38 40.93 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.732 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.435 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 14.6 pt-20 -137.93 164.47 28.93 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.054 -1.262 . . . . 0.0 107.869 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.4 t -109.82 107.7 17.76 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.856 -1.153 . . . . 0.0 110.015 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -72.74 -179.42 3.1 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.719 0.771 . . . . 0.0 110.455 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.05 -49.62 76.93 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.476 0.655 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.484 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 25.8 mp0 -58.58 -54.96 41.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.106 -0.996 . . . . 0.0 109.725 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.959 -1.088 . . . . 0.0 108.356 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 92.3 t80 -51.33 -39.93 58.0 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.781 -0.768 . . . . 0.0 108.968 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.4 tpt -65.79 -28.54 69.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.67 -53.27 35.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 0.0 108.683 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.04 -39.94 43.34 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.2 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.518 ' O ' ' N ' ' B' ' 81' ' ' THR . 60.0 p -69.97 -48.31 58.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.83 . . . . 0.0 109.398 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.3 ttt -48.13 -40.54 23.94 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.271 -0.893 . . . . 0.0 109.339 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -68.61 -27.77 37.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.518 ' N ' ' O ' ' B' ' 78' ' ' SER . 12.3 m -82.92 -47.5 11.73 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.759 0.79 . . . . 0.0 109.109 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -68.49 -16.78 64.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.714 -0.616 . . . . 0.0 109.976 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.46 -64.82 1.02 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.509 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.498 -0.751 . . . . 0.0 109.66 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -35.41 75.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.202 -0.936 . . . . 0.0 110.196 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.5 -33.27 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.814 -1.179 . . . . 0.0 109.813 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.21 -41.97 99.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.03 -39.91 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.3 -0.875 . . . . 0.0 110.004 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.52 85.46 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 67.1 mtt -59.91 -47.41 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.051 -1.031 . . . . 0.0 109.291 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -59.96 -40.07 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.613 -0.68 . . . . 0.0 110.97 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.3 93.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.64 -1.287 . . . . 0.0 110.503 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.98 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.884 -1.135 . . . . 0.0 109.539 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.99 -51.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.933 -1.105 . . . . 0.0 109.717 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -42.84 94.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 109.847 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.9 -42.03 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.13 -53.67 55.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.137 -0.977 . . . . 0.0 110.027 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.96 -43.67 94.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 112.077 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.72 -39.95 76.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.304 -1.498 . . . . 0.0 109.513 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CZ ' ' NH2' ' A' ' 20' ' ' ARG . 65.2 t80 -69.06 -46.22 68.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.528 -0.732 . . . . 0.0 109.17 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -76.12 -18.05 59.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.62 13.67 61.86 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.596 ' NH2' ' CZ ' ' A' ' 17' ' ' TYR . 85.3 mtm180 -72.15 -39.65 68.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.874 -1.368 . . . . 0.0 108.499 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.544 ' C ' ' H ' ' A' ' 23' ' ' ASP . 31.6 mp0 -108.92 161.55 15.04 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.38 37.17 0.12 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 21' ' ' GLU . 43.4 p-10 -125.75 92.32 3.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.36 -1.083 . . . . 0.0 108.86 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 99.0 mttt -100.09 122.76 43.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.169 -0.957 . . . . 0.0 111.253 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.3 t-80 87.94 28.91 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.132 0.492 . . . . 0.0 110.905 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -170.86 123.59 0.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.8 mt -109.75 142.74 40.55 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.797 0.808 . . . . 0.0 110.799 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -97.3 167.65 10.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -58.01 -39.61 78.73 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -59.96 -38.25 81.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.016 -1.053 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.04 -34.55 73.38 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.12 -42.43 76.07 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.716 -0.615 . . . . 0.0 109.407 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -66.96 -40.02 87.38 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.336 -0.853 . . . . 0.0 110.225 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 88.1 tt0 -59.98 -42.95 95.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.061 -1.024 . . . . 0.0 109.546 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.98 -43.05 91.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.8 mt -62.08 -42.68 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.105 -0.997 . . . . 0.0 109.347 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.09 -45.36 93.21 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 109.566 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -80.71 -42.96 21.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.549 -0.719 . . . . 0.0 110.803 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 36' ' ' ILE . 23.2 tp10 -113.61 164.85 13.14 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.381 -0.824 . . . . 0.0 110.294 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mp 61.31 21.35 11.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.364 -0.835 . . . . 0.0 110.371 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.7 m -64.03 -45.71 87.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 109.411 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -81.46 -24.12 37.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.219 -0.926 . . . . 0.0 110.115 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -98.54 0.03 44.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.72 134.05 7.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.908 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 42.5 mp0 -72.4 140.85 48.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.861 . . . . 0.0 109.411 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.66 136.99 58.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.17 -0.956 . . . . 0.0 108.736 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.3 mt -107.02 119.98 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.42 -0.8 . . . . 0.0 109.284 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -96.32 -13.0 23.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 57.4 mp0 -99.59 118.8 36.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.087 -1.008 . . . . 0.0 109.705 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.04 -39.24 94.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.375 -0.828 . . . . 0.0 109.47 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -53.81 -35.37 61.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.505 -0.747 . . . . 0.0 109.605 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.2 -36.34 67.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.854 -1.154 . . . . 0.0 108.315 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.97 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -59.98 -40.39 88.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.73 -44.3 97.18 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.02 -1.05 . . . . 0.0 109.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.97 -41.88 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.315 -0.865 . . . . 0.0 109.542 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 ttt -60.16 -47.68 84.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.352 -0.842 . . . . 0.0 110.971 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.06 -41.05 91.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.945 -1.097 . . . . 0.0 109.095 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.01 95.18 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.577 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -72.41 -39.98 67.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.49 -0.757 . . . . 0.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.74 93.79 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.027 -1.046 . . . . 0.0 110.645 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.6 mp0 -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.152 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -82.47 -15.52 52.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.935 . . . . 0.0 110.277 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.09 29.93 70.2 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 42.8 p-10 -76.47 0.09 21.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.121 -1.223 . . . . 0.0 110.523 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.11 2.02 65.05 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.783 -1.198 . . . . 0.0 110.223 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 98.6 mt-10 -139.92 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -106.95 108.44 19.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.867 -1.146 . . . . 0.0 109.078 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -70.23 -178.73 1.75 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.288 -0.882 . . . . 0.0 110.173 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.98 -50.06 75.25 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.536 0.684 . . . . 0.0 109.584 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.41 -52.18 66.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 109.614 -177.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.02 -44.27 94.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.625 -1.297 . . . . 0.0 108.188 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -47.14 -42.66 19.81 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' VAL . 96.5 mmm -70.09 -39.98 75.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.94 -12.86 0.91 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.939 -1.1 . . . . 0.0 110.184 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -91.73 -30.28 16.35 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' MET . 54.6 t -66.33 -39.92 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.732 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.8 p -71.32 -50.49 31.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 110.159 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 ttt -54.26 -39.97 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.983 -1.073 . . . . 0.0 108.683 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.99 -33.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -62.62 -43.04 99.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.413 -0.804 . . . . 0.0 109.176 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -70.44 -51.98 25.5 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.143 -0.973 . . . . 0.0 108.705 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.43 -39.79 23.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.502 -0.749 . . . . 0.0 109.516 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.0 109.309 -179.493 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.05 -35.05 74.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.09 -33.21 74.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.802 -1.187 . . . . 0.0 109.649 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.94 -42.19 99.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 109.94 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.903 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.63 85.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.486 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.04 -47.25 86.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.105 -0.997 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.04 -40.03 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.575 -0.703 . . . . 0.0 111.049 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.96 94.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.675 -1.265 . . . . 0.0 110.632 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.03 -49.43 77.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.04 -1.038 . . . . 0.0 109.505 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -51.9 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.991 -1.068 . . . . 0.0 109.82 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.1 -42.76 95.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.73 -42.28 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 109.472 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.06 -53.73 54.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.058 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.92 -43.63 94.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.185 -0.947 . . . . 0.0 112.097 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.74 -40.01 76.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.32 -1.488 . . . . 0.0 109.358 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.594 ' CZ ' ' NH2' ' B' ' 20' ' ' ARG . 64.7 t80 -69.06 -46.2 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 109.287 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.0 t -76.07 -18.1 59.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.56 13.56 62.05 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.594 ' NH2' ' CZ ' ' B' ' 17' ' ' TYR . 84.7 mtm180 -72.08 -39.52 68.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.761 -1.435 . . . . 0.0 108.602 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' B' ' 23' ' ' ASP . 31.6 mp0 -108.99 161.57 15.03 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.58 37.4 0.13 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' B' ' 21' ' ' GLU . 43.8 p-10 -125.77 92.09 3.53 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -1.092 . . . . 0.0 108.895 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 99.2 mttt -99.91 123.03 43.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.152 -0.968 . . . . 0.0 111.297 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.3 t-80 87.86 28.77 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.091 0.472 . . . . 0.0 110.901 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -170.8 123.55 0.63 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.207 -0.933 . . . . 0.0 109.157 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -109.78 142.59 40.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.836 0.827 . . . . 0.0 110.883 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -97.15 167.6 10.95 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -57.97 -39.6 78.57 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.5 p -60.07 -38.18 82.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 108.769 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.0 -34.55 73.47 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 108.731 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.24 -42.16 76.02 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -67.06 -40.0 86.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.167 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.53 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 87.8 tt0 -60.01 -43.06 95.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.039 -1.038 . . . . 0.0 109.535 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.93 -42.94 90.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.595 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' B' ' 39' ' ' GLU . 85.9 mt -62.15 -42.65 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 109.337 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -60.05 -45.36 93.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.817 -1.177 . . . . 0.0 109.466 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.74 -43.06 20.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.518 -0.739 . . . . 0.0 110.767 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' B' ' 36' ' ' ILE . 23.3 tp10 -113.48 165.01 12.9 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.399 -0.813 . . . . 0.0 110.327 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp 61.15 21.4 11.83 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.859 . . . . 0.0 110.397 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 62.2 m -64.01 -45.75 87.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.943 -1.098 . . . . 0.0 109.406 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -81.47 -24.33 36.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.38 0.02 44.56 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.276 -0.89 . . . . 0.0 110.099 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.63 134.05 7.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.06 -1.025 . . . . 0.0 108.897 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 42.6 mp0 -72.34 140.94 48.77 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.277 -0.89 . . . . 0.0 109.51 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.71 136.92 58.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.971 . . . . 0.0 108.721 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -106.88 120.05 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.532 -0.73 . . . . 0.0 109.3 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -96.36 -12.88 23.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.4 mp0 -99.86 118.74 36.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.217 -0.927 . . . . 0.0 109.66 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.15 -39.19 93.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.303 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -53.6 -35.53 60.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 109.666 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.01 -36.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.002 -1.061 . . . . 0.0 108.379 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.95 -40.05 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.683 -0.636 . . . . 0.0 109.285 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -59.92 -40.37 88.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.357 -0.839 . . . . 0.0 110.18 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.81 -44.42 96.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.036 -1.04 . . . . 0.0 108.974 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.99 -41.83 79.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.24 -0.913 . . . . 0.0 109.678 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.4 ttt -60.22 -47.61 85.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.986 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -41.1 91.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.921 -1.112 . . . . 0.0 109.149 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.03 95.25 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 109.466 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.32 -40.5 67.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.57 94.45 0.99 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.67 -1.269 . . . . 0.0 110.688 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.0 mp0 -60.05 -40.02 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.093 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -82.53 -15.26 53.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.259 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.98 29.86 70.46 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 42.8 p-10 -76.39 -0.08 21.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.205 -1.174 . . . . 0.0 110.517 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.26 2.12 66.19 Favored Glycine 0 N--CA 1.491 2.34 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.264 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 98.6 mt-10 -139.97 159.99 40.94 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.3 t -106.89 108.37 19.85 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.929 -1.107 . . . . 0.0 109.058 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -70.12 -178.81 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.274 -0.891 . . . . 0.0 110.148 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.06 -49.89 75.86 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.495 0.664 . . . . 0.0 109.67 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -59.48 -52.16 66.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 109.639 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.96 -44.31 94.51 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.684 -1.26 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -47.18 -42.57 20.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.44 ' O ' ' N ' ' B' ' 77' ' ' VAL . 97.2 mmm -70.02 -39.98 75.49 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.99 -12.88 0.93 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.947 -1.095 . . . . 0.0 110.202 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.86 -30.03 16.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' B' ' 74' ' ' MET . 54.6 t -66.4 -39.98 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.72 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 82.9 p -71.35 -50.39 32.79 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.024 -1.047 . . . . 0.0 110.2 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.7 ttt -54.26 -40.04 67.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.959 -1.088 . . . . 0.0 108.635 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 45.8 t -69.91 -33.45 55.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 0.0 109.16 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.6 p -70.48 -51.86 26.07 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.061 -1.024 . . . . 0.0 108.701 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.56 -39.81 24.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.772 . . . . 0.0 109.515 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.232 -0.918 . . . . 0.0 109.327 -179.482 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.256 0.55 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.04 -35.77 75.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.208 -0.933 . . . . 0.0 110.33 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.578 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -67.49 -33.23 74.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.706 -1.246 . . . . 0.0 109.861 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.13 -44.24 95.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.052 -1.03 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.82 -38.89 86.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.338 -0.851 . . . . 0.0 110.275 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.27 78.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.83 -45.0 75.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.973 -1.079 . . . . 0.0 109.728 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.13 -40.61 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.162 -0.961 . . . . 0.0 110.229 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.15 95.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.826 -1.171 . . . . 0.0 110.381 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.25 -45.91 91.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 110.152 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.22 -51.05 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.935 -1.103 . . . . 0.0 109.188 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.01 -41.48 92.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.847 . . . . 0.0 109.431 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.94 -41.51 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 109.432 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -63.72 -58.62 6.31 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 111.123 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -60.17 -40.24 89.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.998 -1.064 . . . . 0.0 111.774 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.13 -41.12 74.34 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.385 -1.447 . . . . 0.0 109.829 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.475 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 48.7 t80 -74.64 -41.33 60.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.805 . . . . 0.0 109.602 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -70.05 -21.37 63.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.473 -0.767 . . . . 0.0 109.506 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 22.72 15.77 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 75.5 ttt-85 -71.21 -39.99 71.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.264 -1.139 . . . . 0.0 109.438 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.8 mm-40 -108.05 160.01 16.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.537 -0.727 . . . . 0.0 109.644 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.76 -16.59 0.13 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.2 m-20 -85.98 107.43 17.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.006 -1.291 . . . . 0.0 109.41 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 88.7 tttt -100.22 125.92 46.45 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.391 -0.818 . . . . 0.0 110.408 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 4.4 t-80 77.86 41.58 0.13 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.487 0.661 . . . . 0.0 109.849 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 27' ' ' LEU . 33.5 tptt -160.96 120.15 2.59 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.5 mm? -97.64 113.43 25.17 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.155 -0.966 . . . . 0.0 110.061 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 32' ' ' LEU . 58.9 tttp -87.5 160.37 18.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.644 -0.66 . . . . 0.0 109.283 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -55.63 -49.96 71.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 109.641 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 t -61.02 -39.99 91.86 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.96 -1.088 . . . . 0.0 108.253 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -69.89 -31.47 69.29 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 28' ' ' LYS . 59.9 tp -69.98 -40.41 75.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.573 -0.705 . . . . 0.0 109.104 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -63.54 -39.81 95.38 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 88.2 tt0 -60.35 -44.97 95.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.109 -0.995 . . . . 0.0 110.442 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 6.5 tt -60.09 -49.66 76.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.336 -0.852 . . . . 0.0 110.778 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 40' ' ' LEU . 91.2 mt -60.42 -49.82 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.981 -1.074 . . . . 0.0 109.894 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.21 -40.71 94.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.42 -0.8 . . . . 0.0 111.227 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -85.16 -57.35 3.12 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.821 -1.174 . . . . 0.0 112.023 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -80.11 -70.2 0.54 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.834 -1.166 . . . . 0.0 111.564 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 36' ' ' ILE . 79.9 mt -91.37 86.08 5.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.866 -1.146 . . . . 0.0 110.622 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -136.35 -21.03 1.38 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.675 -0.641 . . . . 0.0 109.364 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.01 -14.72 62.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.235 -0.916 . . . . 0.0 110.305 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -104.19 -18.55 14.45 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.098 -1.001 . . . . 0.0 109.303 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.68 149.88 33.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -159.9 26.55 0.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.69 -1.72 58.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.191 -0.943 . . . . 0.0 110.23 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.8 mt -94.53 119.4 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -137.9 -28.15 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.529 -0.732 . . . . 0.0 109.286 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 47.0 tp10 -101.44 139.4 37.16 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.37 -0.831 . . . . 0.0 109.185 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.89 -40.13 87.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.93 -1.107 . . . . 0.0 109.605 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 16.1 tm-20 -50.28 -32.56 17.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.482 -0.761 . . . . 0.0 108.973 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.35 -37.17 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.899 . . . . 0.0 108.986 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.21 -41.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.484 -0.76 . . . . 0.0 109.087 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.19 -45.43 93.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.457 -0.777 . . . . 0.0 110.72 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.72 -44.94 95.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.1 t -69.25 -40.33 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.507 -0.746 . . . . 0.0 109.336 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.5 ttt -63.16 -41.86 99.33 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.48 -0.763 . . . . 0.0 110.025 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.29 -46.17 90.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 109.186 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -67.95 -39.9 83.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.408 -0.808 . . . . 0.0 108.87 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.81 -45.87 91.98 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.555 -0.716 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -68.29 104.59 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.59 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 tp10 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -92.26 -9.62 41.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.087 -1.008 . . . . 0.0 110.866 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.72 30.92 75.01 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -70.98 -3.41 19.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.138 -1.213 . . . . 0.0 110.521 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.08 71.96 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 120.852 -1.155 . . . . 0.0 110.913 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -140.88 160.46 40.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.315 . . . . 0.0 108.168 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.7 m -104.75 111.58 24.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.923 -1.111 . . . . 0.0 109.747 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.01 -176.97 1.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.978 0.894 . . . . 0.0 110.602 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.63 -49.95 75.47 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.628 0.728 . . . . 0.0 109.85 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -58.85 -52.31 66.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 0.0 109.827 -177.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -60.04 -43.2 95.49 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.706 -1.246 . . . . 0.0 108.129 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -50.08 -39.81 43.62 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.7 mmm -68.1 -28.36 67.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.382 -0.823 . . . . 0.0 109.164 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.77 -56.22 14.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.108 -0.995 . . . . 0.0 108.624 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -51.08 -40.09 57.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.33 -45.12 96.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 81' ' ' THR . 60.1 p -63.56 -44.35 94.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.269 -0.894 . . . . 0.0 109.379 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 83' ' ' ALA . 60.2 ttm -49.41 -42.51 42.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.937 . . . . 0.0 108.988 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.74 -31.14 51.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 78' ' ' SER . 35.8 m -78.31 -47.77 17.08 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -70.96 -14.75 62.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.443 -0.786 . . . . 0.0 109.377 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.41 -40.6 97.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.337 -0.852 . . . . 0.0 109.221 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.263 -0.898 . . . . 0.0 109.004 -179.866 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.71 -35.86 75.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.135 -0.978 . . . . 0.0 110.363 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.58 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.9 mm? -67.44 -32.85 73.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.588 -1.32 . . . . 0.0 109.796 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.46 -44.58 95.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 109.562 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -60.22 -39.44 86.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.733 . . . . 0.0 110.197 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.52 77.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.26 -0.9 . . . . 0.0 109.822 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.68 -44.74 77.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 109.978 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.53 -40.3 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.11 -0.994 . . . . 0.0 110.099 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.17 95.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 110.248 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.27 -46.2 90.65 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.1 -51.19 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.993 -1.067 . . . . 0.0 109.527 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.05 -40.88 90.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.333 -0.854 . . . . 0.0 109.427 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -41.58 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.204 -0.935 . . . . 0.0 109.507 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -64.19 -58.41 6.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.321 -0.862 . . . . 0.0 110.903 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -59.93 -40.13 87.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.0 -1.062 . . . . 0.0 111.76 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -70.12 -41.04 74.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.367 -1.458 . . . . 0.0 110.184 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.475 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 50.0 t80 -74.76 -41.85 59.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.692 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -70.01 -20.89 63.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.439 -0.788 . . . . 0.0 109.432 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.6 22.06 18.94 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 76.2 ttt-85 -70.96 -40.17 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -1.156 . . . . 0.0 109.482 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -107.96 159.92 16.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.477 -0.764 . . . . 0.0 109.564 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.65 -15.59 0.16 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' B' ' 21' ' ' GLU . 99.2 m-20 -86.05 107.26 17.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.079 -1.248 . . . . 0.0 109.209 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 88.2 tttt -100.08 125.72 46.2 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.239 -0.913 . . . . 0.0 110.566 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 4.7 t-80 77.75 41.69 0.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.539 0.685 . . . . 0.0 109.882 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.45 ' C ' HD22 ' B' ' 27' ' ' LEU . 33.3 tptt -160.89 120.22 2.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.556 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.4 mm? -97.31 113.82 25.51 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.101 -0.999 . . . . 0.0 110.051 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' B' ' 32' ' ' LEU . 58.5 tttp -87.8 160.36 18.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.643 -0.661 . . . . 0.0 109.453 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' B' ' 28' ' ' LYS . 74.0 tttt -55.83 -49.83 72.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 109.53 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -61.09 -39.69 90.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.945 -1.097 . . . . 0.0 108.343 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -70.02 -31.72 69.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.599 0.714 . . . . 0.0 109.077 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 28' ' ' LYS . 59.9 tp -70.08 -40.17 75.15 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -63.57 -40.23 96.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.07 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 87.7 tt0 -59.97 -45.37 92.9 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.249 -0.907 . . . . 0.0 110.386 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.6 tt -59.96 -49.06 79.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.269 -0.894 . . . . 0.0 110.737 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' B' ' 40' ' ' LEU . 94.1 mt -61.05 -50.09 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.799 -1.188 . . . . 0.0 109.829 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.21 -40.12 92.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 111.265 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -85.61 -57.27 3.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.752 -1.218 . . . . 0.0 112.05 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.9 -70.27 0.53 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 111.594 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' B' ' 36' ' ' ILE . 82.0 mt -91.53 86.26 5.98 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.894 -1.129 . . . . 0.0 110.615 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.6 p -136.45 -21.47 1.34 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.88 -14.69 62.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.286 -0.884 . . . . 0.0 110.475 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.13 -17.4 14.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.123 -0.986 . . . . 0.0 109.308 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 pp -148.75 149.76 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.164 -0.96 . . . . 0.0 109.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -159.9 27.02 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -89.94 -1.86 58.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.296 -0.878 . . . . 0.0 110.285 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.7 mt -94.48 119.83 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.036 . . . . 0.0 109.671 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -138.31 -27.64 0.87 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.483 -0.761 . . . . 0.0 109.291 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -101.67 139.15 37.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.409 -0.807 . . . . 0.0 109.063 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.02 -40.19 88.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.884 -1.135 . . . . 0.0 109.533 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -49.71 -32.53 13.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.489 -0.757 . . . . 0.0 109.026 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.29 -37.41 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 108.777 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.1 -41.34 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.413 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.44 -45.76 92.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.539 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -45.71 93.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.965 -1.084 . . . . 0.0 108.948 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.63 -40.44 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.671 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.2 ttt -63.27 -41.76 99.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 110.04 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 109.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.17 -39.82 82.44 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.25 -47.11 87.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.589 -0.695 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -67.55 104.79 1.66 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.949 . . . . 0.0 110.812 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -60.21 -43.85 95.63 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -91.8 -10.04 41.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.18 -0.95 . . . . 0.0 110.925 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 30.87 74.73 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 40.9 p-10 -70.54 -3.46 18.15 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.183 -1.186 . . . . 0.0 110.386 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.59 -10.18 70.73 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.967 -1.083 . . . . 0.0 111.008 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -140.31 160.65 39.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.934 -1.333 . . . . 0.0 108.199 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -104.77 111.71 24.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.738 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -71.2 -177.16 1.64 Allowed 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.985 0.897 . . . . 0.0 110.646 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.62 -49.87 75.79 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.465 0.65 . . . . 0.0 109.92 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.9 -52.34 66.15 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.813 -177.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -59.94 -43.14 95.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.635 -1.291 . . . . 0.0 108.153 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -50.23 -39.37 44.31 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -68.6 -28.5 66.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 109.223 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.69 -56.0 16.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.122 -0.986 . . . . 0.0 108.675 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -51.38 -40.01 58.33 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.42 -45.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 81' ' ' THR . 79.7 p -63.74 -43.81 95.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.405 ' O ' ' N ' ' B' ' 83' ' ' ALA . 60.3 ttm -49.4 -42.08 41.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 108.954 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.05 -31.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 78' ' ' SER . 30.8 m -78.51 -47.12 17.99 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.4 p -71.33 -14.77 62.31 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.238 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -62.84 -40.47 97.54 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 N--CA 1.487 1.408 0 O-C-N 121.338 -0.851 . . . . 0.0 108.881 179.905 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -38.25 81.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.382 -0.824 . . . . 0.0 110.593 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.33 -33.39 74.21 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.011 -1.056 . . . . 0.0 109.49 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.28 -40.46 93.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.95 -1.094 . . . . 0.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -39.9 87.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.6 94.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.292 -0.88 . . . . 0.0 109.177 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.5 ttm -62.73 -51.22 68.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.238 -0.914 . . . . 0.0 109.901 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.1 -40.7 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.576 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.91 93.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.906 -1.121 . . . . 0.0 109.471 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.01 -45.9 91.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.314 -0.867 . . . . 0.0 110.496 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.98 -47.81 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.751 -1.218 . . . . 0.0 108.872 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.27 -40.03 80.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.432 -0.792 . . . . 0.0 109.07 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.36 -41.27 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 0.0 109.88 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.05 -54.98 39.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.793 -1.192 . . . . 0.0 110.383 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.02 -40.55 89.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 112.497 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.86 -39.99 79.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.298 -1.501 . . . . 0.0 110.495 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.8 -41.33 62.51 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 110.072 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -80.06 -21.02 43.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.005 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.61 15.55 60.07 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -87.37 -54.91 4.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.006 -1.291 . . . . 0.0 109.225 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 65.3 mm-40 -150.21 160.09 43.94 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 -158.36 44.43 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.55 137.98 58.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.489 -1.006 . . . . 0.0 109.616 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.68 -40.01 80.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 111.01 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.71 -21.11 15.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.214 . . . . 0.0 111.645 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -107.41 149.68 27.62 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.1 -1.0 . . . . 0.0 110.625 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 2.5 mm? -97.11 125.14 41.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.544 -0.723 . . . . 0.0 110.321 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -84.53 160.18 20.55 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' SER . 1.3 ptpm? -53.36 -42.17 66.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.647 -1.283 . . . . 0.0 109.845 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 91.2 p -64.04 -38.05 89.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 108.982 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 42.4 mt-10 -68.69 -39.74 80.38 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.886 0.85 . . . . 0.0 108.911 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 32' ' ' LEU . 5.8 tt -67.06 -44.84 79.11 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.33 -40.18 93.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 0.0 109.449 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 86.8 tt0 -60.09 -43.91 95.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.366 -0.834 . . . . 0.0 109.791 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 HD21 ' A' ' 38' ' ' ASN . 34.1 tp -59.94 -43.77 94.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.409 -0.807 . . . . 0.0 109.724 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' LEU . 84.2 mt -60.04 -49.08 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.088 -1.007 . . . . 0.0 110.229 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -60.35 -40.34 90.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.857 . . . . 0.0 111.151 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.708 HD22 ' N ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -91.43 -27.44 18.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.026 -1.046 . . . . 0.0 111.264 -178.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.708 ' N ' HD22 ' A' ' 38' ' ' ASN . 6.1 tp10 -89.99 -76.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.797 -1.189 . . . . 0.0 110.594 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 40' ' ' LEU . 9.7 mp -81.59 130.26 34.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 110.293 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 8.2 p -129.75 -58.05 1.1 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.553 -0.717 . . . . 0.0 109.464 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.566 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -85.5 -1.96 57.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.936 -1.103 . . . . 0.0 110.438 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -98.38 -1.62 41.12 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.126 -0.984 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -143.35 150.06 38.62 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.272 -0.892 . . . . 0.0 108.815 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.42 -80.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.779 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -171.41 135.89 0.97 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.083 -1.011 . . . . 0.0 109.78 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mm -83.01 108.88 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.385 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -89.61 -74.71 0.47 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.225 -0.922 . . . . 0.0 110.17 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.67 144.24 25.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -68.68 -28.8 67.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.318 -0.864 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.31 -30.09 49.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.186 -0.946 . . . . 0.0 108.731 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.92 -35.2 63.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.16 -41.05 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.568 -0.708 . . . . 0.0 109.173 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 109.224 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.07 -46.67 88.78 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.94 -40.58 89.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.474 -0.766 . . . . 0.0 109.504 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.5 mtp -66.32 -41.93 88.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 110.218 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.154 -0.966 . . . . 0.0 109.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -69.38 -40.01 77.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.423 -0.798 . . . . 0.0 109.353 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.6 -40.81 72.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.687 . . . . 0.0 110.226 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 62.5 t0 -67.32 105.58 1.81 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.296 -0.877 . . . . 0.0 110.277 -178.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.07 -40.06 78.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.457 -0.777 . . . . 0.0 110.146 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 7.4 p-10 -90.1 -10.99 42.63 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.008 -1.057 . . . . 0.0 110.772 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.27 29.54 70.18 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.67 -1.252 . . . . 0.0 110.189 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 p-10 -76.28 -1.7 27.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.041 -1.27 . . . . 0.0 110.012 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.34 3.46 89.86 Favored Glycine 0 N--CA 1.494 2.539 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.843 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -138.62 159.45 42.08 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.145 -1.209 . . . . 0.0 108.136 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -97.97 104.86 16.93 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.866 -1.146 . . . . 0.0 108.759 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.06 169.86 7.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.928 0.87 . . . . 0.0 111.217 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.98 -47.26 86.55 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.528 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 26.4 mp0 -59.1 -55.23 37.67 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.54 -0.864 . . . . 0.0 108.753 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.7 mt-10 -59.99 -44.38 94.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.963 -1.086 . . . . 0.0 108.259 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.35 -38.28 18.84 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.55 -29.34 67.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 108.921 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.93 -55.23 20.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.66 -40.05 62.48 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.72 -45.06 98.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 81' ' ' THR . 87.2 p -66.59 -44.57 81.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.3 -0.875 . . . . 0.0 110.121 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 83' ' ' ALA . 67.9 mtt -50.28 -42.99 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.076 -1.015 . . . . 0.0 108.976 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.15 -30.46 47.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 78' ' ' SER . 34.0 m -83.15 -49.21 9.71 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 m -72.09 -19.96 61.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.859 -0.526 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -80.03 -69.91 0.56 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.977 -1.077 . . . . 0.0 109.56 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.6 m . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.323 -0.861 . . . . 0.0 109.002 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.406 0.622 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.01 -37.85 80.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 110.465 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.52 -33.46 74.16 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.026 -1.047 . . . . 0.0 109.45 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.18 -40.35 94.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.155 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.02 -39.95 87.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.705 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.11 93.78 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.255 -0.903 . . . . 0.0 109.073 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.1 ttm -62.53 -51.2 68.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.13 -0.982 . . . . 0.0 110.04 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.02 -40.54 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.362 -0.836 . . . . 0.0 110.485 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.911 -1.118 . . . . 0.0 109.472 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -45.86 91.37 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.857 . . . . 0.0 110.45 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.03 -47.7 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.673 -1.267 . . . . 0.0 108.938 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.22 -40.1 80.8 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.049 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.58 -41.03 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 0.0 109.846 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.03 -55.09 38.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.685 -1.259 . . . . 0.0 110.317 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.05 -40.51 89.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 112.488 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.71 -40.05 80.16 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.306 -1.496 . . . . 0.0 110.629 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.99 -41.34 62.08 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.109 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -80.05 -21.05 43.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.93 -1.106 . . . . 0.0 111.01 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.54 15.63 59.76 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -87.5 -54.42 4.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.965 -1.315 . . . . 0.0 109.254 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 65.0 mm-40 -150.53 159.94 44.14 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.54 -158.54 45.4 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.96 138.22 58.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -1.054 . . . . 0.0 109.637 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -69.0 -39.93 79.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.348 -0.845 . . . . 0.0 110.871 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -100.76 -20.78 15.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.802 -1.186 . . . . 0.0 111.708 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.73 149.54 28.04 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.03 -1.044 . . . . 0.0 110.647 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 2.8 mm? -96.94 125.43 41.37 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.566 -0.709 . . . . 0.0 110.18 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.09 160.12 20.04 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 30' ' ' SER . 1.3 ptpm? -53.29 -42.38 66.53 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.634 -1.291 . . . . 0.0 109.847 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 96.0 p -63.8 -38.11 89.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.111 -0.993 . . . . 0.0 108.931 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' B' ' 21' ' ' GLU . 43.4 mt-10 -68.74 -39.7 80.19 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.912 0.863 . . . . 0.0 108.963 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.613 HD23 ' O ' ' B' ' 32' ' ' LEU . 5.9 tt -67.2 -44.2 80.18 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.349 0.595 . . . . 0.0 109.405 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.85 -40.25 94.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.312 -0.867 . . . . 0.0 109.408 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 87.0 tt0 -60.08 -43.76 95.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.455 -0.778 . . . . 0.0 109.796 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.465 HD12 HD21 ' B' ' 38' ' ' ASN . 32.4 tp -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.288 -0.883 . . . . 0.0 109.638 -178.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.94 -48.75 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 110.292 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.38 -40.58 91.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.362 -0.836 . . . . 0.0 111.202 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.688 HD22 ' N ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -91.35 -27.5 18.33 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.054 -1.029 . . . . 0.0 111.234 -178.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.688 ' N ' HD22 ' B' ' 38' ' ' ASN . 6.1 tp10 -90.02 -76.8 0.41 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.836 -1.165 . . . . 0.0 110.572 -178.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 40' ' ' LEU . 9.7 mp -81.68 130.41 35.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.237 -0.915 . . . . 0.0 110.184 -178.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 13.2 p -130.0 -57.76 1.09 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.52 -0.737 . . . . 0.0 109.43 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.563 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 0.0 OUTLIER -85.09 -2.24 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.912 -1.117 . . . . 0.0 110.393 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -98.26 -1.59 41.55 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.007 -1.058 . . . . 0.0 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.45 150.0 38.38 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.254 -0.904 . . . . 0.0 108.886 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.17 -80.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 109.86 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -171.08 136.19 1.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 109.814 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.36 108.78 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.86 -74.97 0.46 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 110.007 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.48 144.13 25.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.029 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.76 -28.53 66.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.267 -0.896 . . . . 0.0 109.189 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.48 -29.97 51.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.08 -1.012 . . . . 0.0 108.822 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.98 -35.05 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.13 -41.16 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.568 -0.708 . . . . 0.0 109.286 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.335 -0.853 . . . . 0.0 109.143 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.0 -46.8 88.28 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.96 -40.34 88.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.535 -0.728 . . . . 0.0 109.553 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mtp -66.46 -42.04 88.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.325 -0.859 . . . . 0.0 110.113 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.75 -46.25 91.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 109.222 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -69.28 -40.01 78.03 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.34 -42.06 72.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.583 -0.698 . . . . 0.0 110.183 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 62.8 t0 -66.79 105.79 1.68 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.155 -0.966 . . . . 0.0 110.357 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.99 -39.95 79.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.286 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 7.6 p-10 -90.11 -10.92 42.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.093 -1.004 . . . . 0.0 110.796 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 70.19 29.32 70.5 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 119.66 -1.257 . . . . 0.0 110.251 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.5 p-10 -76.01 -2.24 29.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.0 -1.294 . . . . 0.0 109.935 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.0 4.75 89.7 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.278 -0.963 . . . . 0.0 110.823 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -139.07 159.29 42.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.135 -1.215 . . . . 0.0 107.929 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.2 t -97.84 104.87 16.93 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.825 -1.172 . . . . 0.0 108.684 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.37 170.32 7.53 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 122.007 0.908 . . . . 0.0 111.206 -178.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.96 -47.17 86.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.523 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 26.5 mp0 -59.12 -55.3 36.81 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.815 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.1 mt-10 -60.0 -44.48 94.53 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -48.56 -37.89 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.9 tpt -68.98 -28.81 66.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.335 -0.853 . . . . 0.0 109.078 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.5 -54.83 22.73 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -52.96 -39.91 63.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.61 -45.1 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.405 ' O ' ' N ' ' B' ' 81' ' ' THR . 84.2 p -66.4 -44.76 82.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.324 -0.86 . . . . 0.0 110.048 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 83' ' ' ALA . 68.4 mtt -50.44 -42.99 54.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.149 -0.969 . . . . 0.0 108.989 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.18 -30.22 47.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' B' ' 78' ' ' SER . 36.3 m -83.15 -49.39 9.53 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -71.98 -20.02 61.79 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.781 -0.574 . . . . 0.0 110.821 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -79.93 -70.09 0.54 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.505 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.301 -1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 109.006 -179.739 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.304 0.573 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.86 -37.63 79.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.41 -0.806 . . . . 0.0 110.412 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.98 -32.43 70.64 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.818 -1.176 . . . . 0.0 109.581 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -61.13 -41.94 97.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.01 -38.94 84.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.568 -0.708 . . . . 0.0 110.051 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.76 95.21 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.97 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 36.7 tpp -61.37 -50.02 74.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.498 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -40.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.505 -0.747 . . . . 0.0 110.265 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.4 92.32 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.873 -1.142 . . . . 0.0 109.173 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.87 -48.22 82.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 110.075 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.94 -52.23 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.881 -1.137 . . . . 0.0 109.914 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.04 -39.9 87.52 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.13 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.01 -41.55 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.589 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.63 -56.71 15.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.971 -1.08 . . . . 0.0 110.343 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -42.94 95.27 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.563 -0.71 . . . . 0.0 112.16 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.04 -41.1 74.67 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.29 -1.506 . . . . 0.0 110.149 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.3 t80 -71.77 -48.69 44.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.52 -0.737 . . . . 0.0 109.656 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.6 p -70.22 -20.15 63.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.478 -0.763 . . . . 0.0 110.225 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.33 19.84 33.46 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -86.23 -51.38 6.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.846 -1.385 . . . . 0.0 108.979 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -140.81 148.17 40.17 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.27 179.76 20.6 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -62.01 -59.88 4.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.939 -1.33 . . . . 0.0 109.484 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -171.86 -64.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.103 -0.998 . . . . 0.0 111.103 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.407 ' ND1' ' C ' ' A' ' 25' ' ' HIS . 3.7 p80 -110.9 17.05 20.9 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.084 -1.01 . . . . 0.0 111.071 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -107.9 129.31 55.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.17 -0.956 . . . . 0.0 109.107 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.0 mt -102.42 127.35 49.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.379 -0.826 . . . . 0.0 109.87 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -95.35 167.1 11.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.471 -0.768 . . . . 0.0 109.091 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -56.72 -41.04 76.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.891 -1.131 . . . . 0.0 110.149 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.2 p -63.94 -35.05 79.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.909 -1.12 . . . . 0.0 108.812 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.97 -31.76 69.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.614 -0.679 . . . . 0.0 109.253 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.85 -40.49 75.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -0.8 . . . . 0.0 109.722 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.59 -40.13 93.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.266 -0.896 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.01 -46.21 90.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 109.932 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.553 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 62.9 tp -60.19 -46.33 90.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.572 -0.705 . . . . 0.0 109.846 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -61.16 -42.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.108 -0.995 . . . . 0.0 109.528 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -69.9 -39.93 75.91 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.889 -1.132 . . . . 0.0 111.015 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -76.1 -58.02 3.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.89 -1.131 . . . . 0.0 112.61 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.51 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.6 mt-10 -84.4 -95.98 0.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.854 -1.153 . . . . 0.0 112.927 -176.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 36' ' ' ILE . 80.5 mt -61.42 129.37 40.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.296 -0.877 . . . . 0.0 110.907 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -147.7 -49.8 0.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.154 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.83 -19.96 62.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.48 -0.763 . . . . 0.0 109.999 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -99.3 1.13 44.28 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.21 -0.931 . . . . 0.0 110.184 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.3 mt -133.01 151.43 52.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.302 -0.874 . . . . 0.0 109.407 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -77.08 144.7 38.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -63.9 139.52 58.78 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.977 -1.077 . . . . 0.0 109.146 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -97.94 121.07 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.526 -0.734 . . . . 0.0 109.569 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -103.26 -28.24 12.0 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.352 -0.843 . . . . 0.0 110.151 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 88.3 tt0 -121.45 134.14 55.08 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.268 -0.895 . . . . 0.0 110.394 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' VAL . 9.7 mp0 -60.6 -39.26 87.46 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 109.866 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 86.2 tt0 -45.93 -32.22 2.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.485 -0.759 . . . . 0.0 109.075 -179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.13 -32.9 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.353 -0.842 . . . . 0.0 108.785 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' GLN . 94.9 t -68.49 -41.04 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.541 -0.725 . . . . 0.0 109.218 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.74 . . . . 0.0 109.718 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.86 -42.17 98.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 108.788 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.9 -41.75 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.733 . . . . 0.0 110.308 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.5 mmm -62.66 -41.82 99.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.201 -0.937 . . . . 0.0 110.124 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.14 -43.96 95.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.192 -0.943 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.11 75.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.47 -0.769 . . . . 0.0 110.565 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 tp -70.6 -43.46 69.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.079 -1.013 . . . . 0.0 111.713 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -67.43 103.98 1.43 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.925 -1.11 . . . . 0.0 110.538 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.64 -40.06 95.92 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.461 -0.774 . . . . 0.0 110.157 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.93 59.42 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.918 -1.134 . . . . 0.0 110.611 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -79.92 -2.99 46.2 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.98 -1.306 . . . . 0.0 111.008 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 5.54 85.27 Favored Glycine 0 N--CA 1.497 2.735 0 O-C-N 120.761 -1.212 . . . . 0.0 111.347 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -139.87 161.05 38.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.923 -1.339 . . . . 0.0 107.981 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.23 108.25 19.2 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -75.54 -178.5 4.14 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.004 0.907 . . . . 0.0 110.81 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.71 -48.9 79.71 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.387 0.613 . . . . 0.0 110.159 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? -60.05 -56.54 20.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 109.988 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 75' ' ' ALA . 99.3 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.657 -1.277 . . . . 0.0 108.301 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -45.96 -40.78 10.8 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 75.9 mtp -70.43 -28.87 65.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' SER . . . -63.21 -59.94 4.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.838 -1.163 . . . . 0.0 109.056 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -49.62 -39.92 37.44 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.15 -40.07 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' ALA . 22.9 t -72.75 -50.18 26.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.455 -0.778 . . . . 0.0 110.86 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.6 ttp -53.98 -40.36 66.82 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.706 -1.246 . . . . 0.0 109.538 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -70.06 -27.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.302 -0.874 . . . . 0.0 108.66 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.447 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 38.8 m -68.84 -44.18 73.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.53 -0.731 . . . . 0.0 109.143 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.6 m -68.41 -54.14 19.1 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.89 -41.5 11.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 109.567 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.932 . . . . 0.0 109.279 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.382 0.61 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -37.49 79.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.415 -0.803 . . . . 0.0 110.45 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -70.05 -32.51 70.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.824 -1.173 . . . . 0.0 109.407 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.93 . . . . 0.0 109.421 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.2 -38.71 84.16 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.643 -0.661 . . . . 0.0 109.836 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.35 94.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 108.91 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.447 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 35.3 tpp -61.81 -49.99 74.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.938 . . . . 0.0 109.49 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.03 -40.04 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 110.139 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.435 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -59.89 -41.53 91.8 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.855 -1.153 . . . . 0.0 109.275 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.96 -48.49 81.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.312 -0.868 . . . . 0.0 110.029 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.1 -51.87 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.85 -1.156 . . . . 0.0 109.87 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.99 -40.06 87.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 109.134 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 9' ' ' ALA . 59.2 t -70.01 -41.52 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.808 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.88 -56.7 14.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.026 -1.046 . . . . 0.0 110.349 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -60.03 -43.01 95.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.402 -0.811 . . . . 0.0 112.185 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -69.94 -40.93 75.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.275 -1.516 . . . . 0.0 110.314 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.549 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 58.4 t80 -72.16 -48.46 43.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.675 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.25 -20.29 63.08 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.763 . . . . 0.0 110.113 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.35 20.13 32.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -85.95 -51.39 6.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.859 -1.377 . . . . 0.0 109.124 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -141.05 148.23 39.89 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.56 179.48 20.51 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.0 -60.04 4.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.979 -1.307 . . . . 0.0 109.427 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -171.5 -64.91 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.025 -1.047 . . . . 0.0 111.202 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.405 ' ND1' ' C ' ' B' ' 25' ' ' HIS . 3.4 p80 -110.77 16.94 21.07 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.085 -1.009 . . . . 0.0 111.128 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -107.88 129.13 55.1 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.198 -0.939 . . . . 0.0 109.269 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -102.4 127.01 49.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.345 -0.847 . . . . 0.0 109.942 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -95.5 166.93 11.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.457 -0.777 . . . . 0.0 109.24 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -56.59 -41.07 76.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.002 -1.061 . . . . 0.0 110.178 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -63.79 -35.36 80.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.893 -1.129 . . . . 0.0 108.83 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.06 -31.52 69.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.86 -40.75 75.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 109.646 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -61.49 -40.28 93.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.238 -0.914 . . . . 0.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.84 -46.32 89.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.254 -0.904 . . . . 0.0 109.981 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.549 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.7 tp -60.47 -45.67 92.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.461 -0.775 . . . . 0.0 110.047 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -61.55 -42.47 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -69.74 -40.05 76.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.016 -1.053 . . . . 0.0 110.938 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -76.26 -57.9 3.6 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.954 -1.092 . . . . 0.0 112.602 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.491 ' OE1' HD11 ' B' ' 35' ' ' LEU . 99.3 mt-10 -84.43 -96.18 0.06 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.805 -1.184 . . . . 0.0 112.751 -176.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' B' ' 36' ' ' ILE . 76.8 mt -61.33 129.28 40.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.233 -0.917 . . . . 0.0 110.958 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -147.43 -49.75 0.18 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 0.0 109.101 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.74 -20.02 62.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.444 -0.785 . . . . 0.0 109.971 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -99.15 0.77 44.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.174 -0.954 . . . . 0.0 110.124 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 78.7 mt -132.35 151.16 51.97 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.353 -0.842 . . . . 0.0 109.476 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -77.01 144.59 38.57 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.86 139.7 58.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 109.173 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 94.0 mt -98.19 121.22 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.433 -0.792 . . . . 0.0 109.57 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -103.55 -28.35 11.8 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.374 -0.829 . . . . 0.0 110.213 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 86.9 tt0 -120.88 134.43 55.29 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.267 -0.895 . . . . 0.0 110.456 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 9.7 mp0 -61.13 -38.76 87.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.443 -0.786 . . . . 0.0 109.855 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.435 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 87.1 tt0 -46.1 -32.19 2.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.549 -0.72 . . . . 0.0 109.182 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.07 -32.89 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 108.854 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 94.8 t -68.29 -41.19 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.222 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.14 -40.15 88.81 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.456 -0.778 . . . . 0.0 109.734 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.8 -42.38 98.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.63 -41.86 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.605 -0.684 . . . . 0.0 110.409 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 90.5 mmm -62.73 -42.02 99.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -0.9 . . . . 0.0 110.126 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.08 -43.95 95.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.304 -0.872 . . . . 0.0 108.657 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -69.99 -40.14 75.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.78 . . . . 0.0 110.722 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.7 tp -70.17 -44.7 68.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.177 -0.952 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -66.36 103.68 1.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 110.729 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.12 -40.36 97.39 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.404 -0.81 . . . . 0.0 108.836 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.101 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.84 32.01 59.51 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.976 -1.107 . . . . 0.0 110.582 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -79.97 -2.93 46.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.968 -1.313 . . . . 0.0 111.02 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.57 5.29 85.91 Favored Glycine 0 N--CA 1.495 2.629 0 O-C-N 120.77 -1.206 . . . . 0.0 111.327 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -140.07 160.89 38.92 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.962 -1.316 . . . . 0.0 107.932 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 84.0 m -108.01 108.33 19.4 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.853 -1.154 . . . . 0.0 109.304 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -75.75 -178.48 4.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.908 0.861 . . . . 0.0 110.851 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.62 -48.86 79.92 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.416 0.627 . . . . 0.0 110.067 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -59.91 -56.66 19.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 110.076 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.72 -1.237 . . . . 0.0 108.281 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -45.83 -40.75 10.24 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.417 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 73.9 mtp -70.38 -29.28 65.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.325 -0.859 . . . . 0.0 109.589 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 78' ' ' SER . . . -63.15 -60.04 3.96 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.913 -1.117 . . . . 0.0 109.019 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -49.51 -40.05 36.39 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.02 -40.05 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.492 ' N ' ' O ' ' B' ' 75' ' ' ALA . 21.1 t -72.5 -50.32 26.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.483 -0.761 . . . . 0.0 110.92 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 50.6 ttp -54.34 -40.22 67.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.669 -1.269 . . . . 0.0 109.551 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.96 -27.83 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.45 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 33.4 m -68.89 -44.02 74.08 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.555 -0.716 . . . . 0.0 109.272 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -68.51 -53.96 19.86 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -41.54 11.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.52 -0.738 . . . . 0.0 109.687 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.336 -179.775 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.525 0.678 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -34.74 77.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.415 -0.803 . . . . 0.0 110.968 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.414 HD23 ' OE2' ' B' ' 39' ' ' GLU . 60.2 tp -70.09 -34.45 73.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.104 . . . . 0.0 109.316 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.71 -41.8 98.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.401 -0.812 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.39 -39.87 88.86 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.098 -1.001 . . . . 0.0 109.369 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.33 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.956 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.9 ttm -59.89 -50.53 73.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.381 -0.824 . . . . 0.0 109.169 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.2 t -57.89 -37.72 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.512 -0.742 . . . . 0.0 109.288 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.74 93.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.711 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.19 -48.36 82.06 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.115 -0.991 . . . . 0.0 110.803 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.36 -50.25 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.669 -1.269 . . . . 0.0 109.319 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -59.94 -42.93 95.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.307 -0.871 . . . . 0.0 109.209 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.71 -39.92 76.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.558 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.93 -57.94 5.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.076 . . . . 0.0 110.456 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -59.93 -40.29 88.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.961 . . . . 0.0 111.436 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -69.6 -39.87 76.99 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.267 -1.521 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.481 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 41.4 t80 -75.78 -46.38 31.02 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.325 -0.859 . . . . 0.0 110.35 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -73.1 -21.47 60.75 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.026 -1.046 . . . . 0.0 110.446 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.58 23.34 13.05 Favored Glycine 0 N--CA 1.496 2.654 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.624 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 mtm105 -83.53 -41.75 17.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.922 -1.34 . . . . 0.0 109.803 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.1 tt0 -176.74 151.79 0.93 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 91.8 64.68 1.14 Allowed Glycine 0 N--CA 1.499 2.9 0 C-N-CA 119.744 -1.217 . . . . 0.0 111.659 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' GLY . 94.4 m-20 54.96 100.16 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.144 -1.209 . . . . 0.0 109.481 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 8.3 mtpm? -53.74 137.66 37.24 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 109.226 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 8.4 t60 76.42 42.53 0.17 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.447 0.641 . . . . 0.0 109.937 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -161.09 123.99 3.21 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 27' ' ' LEU . 4.1 mm? -95.99 115.71 27.84 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.714 -1.241 . . . . 0.0 110.526 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.93 166.56 12.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.621 -0.674 . . . . 0.0 109.303 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.58 -40.0 68.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.23 -0.919 . . . . 0.0 110.376 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -68.14 -33.95 75.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.921 -1.112 . . . . 0.0 110.113 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 73.4 mt-10 -69.95 -30.23 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.62 -39.88 73.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.455 0.645 . . . . 0.0 109.909 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -63.97 -42.81 97.14 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.37 -45.4 72.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.159 -0.963 . . . . 0.0 109.574 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 41.7 tp -60.31 -49.98 75.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 109.385 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.43 -49.95 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.609 -0.682 . . . . 0.0 110.105 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.19 -40.8 97.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.534 -0.729 . . . . 0.0 110.539 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -85.3 -31.49 23.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.228 -0.92 . . . . 0.0 110.707 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' LEU . 38.6 tp10 -84.7 -76.45 0.31 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.303 -0.873 . . . . 0.0 111.198 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.59 129.85 39.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.004 -1.06 . . . . 0.0 109.596 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -117.54 -72.51 0.68 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.451 -0.78 . . . . 0.0 109.161 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.621 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 13.8 p80 -91.54 6.31 46.13 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.009 -1.057 . . . . 0.0 109.091 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.621 ' CZ ' ' CE1' ' A' ' 42' ' ' HIS . 66.2 m-85 -98.79 -3.12 36.32 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.435 HD13 ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -137.84 137.26 37.96 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.408 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.435 ' H ' HD13 ' A' ' 44' ' ' LEU . 85.7 tt0 -60.98 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.941 -1.099 . . . . 0.0 109.325 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -160.31 119.94 2.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.855 -1.153 . . . . 0.0 109.113 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.6 mt -97.64 118.79 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.227 -0.921 . . . . 0.0 109.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.21 -23.55 12.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.681 -0.637 . . . . 0.0 109.574 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -108.67 136.55 48.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.353 -0.842 . . . . 0.0 110.507 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.16 -31.05 69.44 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 109.526 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -57.17 -30.55 64.6 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.513 -0.742 . . . . 0.0 109.085 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.3 t -68.6 -34.01 62.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.5 t -69.74 -41.76 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.15 89.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.58 -50.07 75.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 108.804 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.8 -40.97 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.694 -0.629 . . . . 0.0 109.426 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.445 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 1.4 tpt -59.97 -43.17 95.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -60.49 -40.18 90.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.112 -0.993 . . . . 0.0 108.608 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -66.1 -39.97 90.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.488 -0.757 . . . . 0.0 109.422 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.2 -40.29 74.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.252 -0.905 . . . . 0.0 109.667 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 56.1 t0 -70.15 89.43 0.64 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 110.717 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.96 -25.1 63.47 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.218 -0.926 . . . . 0.0 108.876 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.49 -10.54 34.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.408 -0.807 . . . . 0.0 110.984 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.51 18.51 71.86 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 88.7 m-20 -68.11 -9.71 48.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.453 -1.028 . . . . 0.0 110.107 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 86.21 -17.69 36.47 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -129.8 164.97 22.93 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.322 -1.105 . . . . 0.0 109.145 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.445 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 82.4 m -103.52 109.33 20.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.147 -0.971 . . . . 0.0 109.583 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.2 t70 -69.8 177.14 3.2 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.998 0.904 . . . . 0.0 111.122 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.532 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.7 t80 -60.25 -48.55 81.28 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.7 -54.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 75' ' ' ALA . 41.1 mt-10 -60.02 -46.71 88.61 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.116 -0.99 . . . . 0.0 108.353 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -45.23 -38.82 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.7 tpp -67.68 -27.8 67.15 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.343 -0.848 . . . . 0.0 109.059 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -59.97 -57.5 12.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.223 -0.923 . . . . 0.0 108.623 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -55.54 -39.6 70.78 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.18 -44.91 96.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.7 p -66.72 -42.84 85.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.02 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.51 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -56.22 -42.53 77.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.193 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.52 -31.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.125 -0.984 . . . . 0.0 108.663 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.6 m -80.56 -48.62 12.46 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.794 0.807 . . . . 0.0 108.956 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -72.3 -17.57 61.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.679 -0.638 . . . . 0.0 110.264 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -76.06 -41.78 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.004 -1.06 . . . . 0.0 109.725 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 92.4 m . . . . . 0 N--CA 1.496 1.869 0 O-C-N 121.259 -0.901 . . . . 0.0 110.591 -178.753 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.391 0.615 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.67 -33.77 76.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.517 -0.739 . . . . 0.0 110.639 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.5 tp -70.11 -34.2 72.81 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.059 -1.025 . . . . 0.0 109.232 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.72 -42.24 98.68 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.898 . . . . 0.0 109.464 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.97 -40.13 88.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.241 -0.912 . . . . 0.0 109.19 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.59 73.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.9 ttm -60.59 -50.91 71.65 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.885 0.85 . . . . 0.0 109.424 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.69 -37.9 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.62 -0.675 . . . . 0.0 109.299 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.05 93.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.079 -1.013 . . . . 0.0 109.931 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.56 -48.4 81.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.266 -0.896 . . . . 0.0 110.414 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.1 mt -60.13 -50.28 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.854 -1.154 . . . . 0.0 109.743 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.07 -43.02 95.74 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.165 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.41 -39.94 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.479 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -66.96 -58.08 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.964 -1.085 . . . . 0.0 110.558 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -60.09 -39.99 88.07 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.199 -0.938 . . . . 0.0 111.585 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -69.62 -39.61 77.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.267 -1.52 . . . . 0.0 109.693 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 42.3 t80 -75.83 -46.89 28.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.203 -0.936 . . . . 0.0 110.39 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.3 t -72.76 -21.33 61.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.56 23.22 13.28 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 121.016 -1.053 . . . . 0.0 110.587 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtm105 -83.0 -41.89 18.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.957 -1.319 . . . . 0.0 109.947 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.1 tt0 -176.91 151.68 0.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.638 -0.664 . . . . 0.0 109.735 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 91.73 66.04 1.14 Allowed Glycine 0 N--CA 1.499 2.871 0 O-C-N 120.947 -1.096 . . . . 0.0 111.511 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 22' ' ' GLY . 94.4 m-20 54.09 101.56 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.173 . . . . 0.0 109.533 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 9.0 mtpm? -54.43 137.69 41.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.331 -0.855 . . . . 0.0 109.28 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 8.6 t60 76.01 43.95 0.15 Allowed 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.463 0.649 . . . . 0.0 109.659 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.409 ' C ' HD22 ' B' ' 27' ' ' LEU . 34.8 tptt -162.1 124.16 2.82 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.516 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.9 mm? -96.45 114.73 26.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.194 . . . . 0.0 110.546 -178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.17 166.26 12.42 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -54.13 -40.03 67.02 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.205 -0.934 . . . . 0.0 110.473 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -68.2 -33.88 75.24 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.987 -1.07 . . . . 0.0 110.258 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 72.4 mt-10 -69.84 -30.36 67.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 108.769 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.12 -39.89 71.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.696 -0.627 . . . . 0.0 109.926 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -63.75 -41.67 97.96 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.356 -0.84 . . . . 0.0 109.586 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -45.1 69.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.207 -0.933 . . . . 0.0 109.493 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.502 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 45.9 tp -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.362 -0.837 . . . . 0.0 109.524 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -61.4 -50.16 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.487 -0.758 . . . . 0.0 110.343 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.04 -40.34 95.41 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.761 . . . . 0.0 110.621 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -84.68 -33.13 23.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.275 -0.891 . . . . 0.0 110.489 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 35' ' ' LEU . 36.8 tp10 -83.89 -77.04 0.27 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.427 -0.796 . . . . 0.0 111.421 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -70.89 128.93 37.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 109.747 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 78.5 p -116.32 -72.97 0.66 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.454 -0.779 . . . . 0.0 109.151 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.613 ' NE2' ' CE2' ' B' ' 43' ' ' PHE . 12.6 p80 -91.08 6.72 43.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 109.332 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.613 ' CE2' ' NE2' ' B' ' 42' ' ' HIS . 66.3 m-85 -99.2 -2.63 36.25 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.87 137.44 38.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.07 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -160.01 119.84 2.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.008 -1.057 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.4 mt -97.87 118.09 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.116 -0.99 . . . . 0.0 109.447 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.69 -23.06 12.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.475 -0.766 . . . . 0.0 109.47 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.94 136.7 48.04 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.329 -0.857 . . . . 0.0 110.559 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.02 -31.59 70.5 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.612 0.72 . . . . 0.0 109.448 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -56.21 -30.9 62.94 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.571 -0.706 . . . . 0.0 109.195 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -68.92 -33.81 61.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.89 -41.74 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.53 -40.44 91.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 0.0 109.706 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.43 -49.93 75.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.194 -0.941 . . . . 0.0 108.597 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.62 -41.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.609 -0.682 . . . . 0.0 109.725 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.425 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 1.7 tpt -60.08 -42.51 94.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.318 -0.864 . . . . 0.0 110.187 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.5 -40.29 94.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.076 -1.015 . . . . 0.0 108.655 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -65.51 -39.8 92.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.51 -0.744 . . . . 0.0 109.476 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' B' ' 76' ' ' PHE . 6.8 mp -70.35 -41.38 73.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.469 -0.769 . . . . 0.0 109.614 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 55.6 t0 -69.26 89.75 0.48 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.093 -1.004 . . . . 0.0 110.72 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.0 -24.6 63.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 108.911 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.03 -10.06 34.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.33 -0.856 . . . . 0.0 110.929 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.87 17.49 71.49 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.513 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 87.6 m-20 -68.13 -9.2 44.76 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.332 -1.099 . . . . 0.0 110.083 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.465 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.99 -16.12 39.49 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -130.24 164.97 23.38 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.305 -1.115 . . . . 0.0 108.993 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 93.1 m -103.57 108.9 20.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.16 -0.962 . . . . 0.0 109.497 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.0 t70 -69.79 177.59 3.0 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.887 0.851 . . . . 0.0 111.112 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 63.0 t80 -60.25 -49.01 79.31 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.66 0.743 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -59.57 -54.0 51.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.438 -0.789 . . . . 0.0 109.252 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' B' ' 75' ' ' ALA . 41.0 mt-10 -60.02 -46.68 88.7 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.052 -1.03 . . . . 0.0 108.384 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -45.03 -38.05 4.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 52.6 tpp -68.36 -27.93 66.69 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.381 -0.824 . . . . 0.0 109.166 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.04 -56.9 15.99 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.413 ' CD1' HD21 ' B' ' 60' ' ' LEU . 90.1 t80 -56.21 -39.49 72.55 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.34 -44.41 95.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.2 p -67.11 -43.12 83.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 110.055 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.508 ' O ' ' N ' ' B' ' 83' ' ' ALA . 28.0 ttt -56.47 -41.68 76.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.461 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.0 -31.35 49.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.15 -0.969 . . . . 0.0 108.456 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.5 m -80.65 -49.62 11.0 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.721 0.772 . . . . 0.0 108.99 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -71.65 -17.34 62.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.809 -0.557 . . . . 0.0 110.199 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.94 -42.57 48.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.2 m . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.447 -0.783 . . . . 0.0 110.941 -178.716 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.95 -35.11 74.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.231 -0.918 . . . . 0.0 110.003 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.0 -32.78 71.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.116 . . . . 0.0 110.718 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -62.61 -45.64 91.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.799 -1.188 . . . . 0.0 109.622 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -61.43 -38.05 85.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.312 -0.868 . . . . 0.0 110.685 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.17 -48.48 81.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.513 -178.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.4 -43.14 86.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.015 -1.053 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.014 -1.054 . . . . 0.0 110.118 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.19 -44.47 96.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.079 -1.013 . . . . 0.0 109.681 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.09 -51.31 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.798 -1.189 . . . . 0.0 109.772 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.99 -43.84 94.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.128 -0.982 . . . . 0.0 109.196 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -39.92 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -0.795 . . . . 0.0 109.869 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -64.14 -59.94 3.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -61.31 -40.88 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.98 -1.075 . . . . 0.0 112.043 -177.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -70.1 -41.33 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.185 -1.572 . . . . 0.0 109.468 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.7 t80 -73.07 -44.01 61.15 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.588 0.708 . . . . 0.0 109.232 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -73.11 -23.13 60.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.698 -0.626 . . . . 0.0 110.349 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.37 23.4 15.63 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -83.48 -44.19 14.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.973 -1.31 . . . . 0.0 108.746 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -148.83 156.0 41.72 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.331 -0.856 . . . . 0.0 109.712 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.89 -171.7 55.15 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -80.32 150.27 29.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -1.049 . . . . 0.0 109.608 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 68.1 mttm -74.1 136.29 42.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 0.0 109.987 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 27.1 t-80 93.73 -15.29 0.12 Allowed 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 123.135 0.574 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.52 116.31 31.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.235 -0.916 . . . . 0.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -94.78 120.07 34.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.11 -0.994 . . . . 0.0 109.443 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -91.04 163.22 14.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.566 -0.708 . . . . 0.0 109.312 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.0 -44.89 83.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.076 -1.015 . . . . 0.0 110.268 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 t -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.853 -1.155 . . . . 0.0 108.705 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.14 -36.08 79.12 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -69.99 -41.21 74.71 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.906 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.9 -40.0 96.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.253 -0.904 . . . . 0.0 109.536 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.95 -43.54 94.96 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.839 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.525 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 64.0 tp -59.93 -41.69 92.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 0.0 109.765 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.66 -40.1 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.0 109.698 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -80.03 -19.84 46.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.544 -0.723 . . . . 0.0 110.754 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -57.89 -56.95 15.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 111.616 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.99 -6.16 0.68 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.649 -1.282 . . . . 0.0 110.278 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -90.74 123.02 33.99 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.93 -1.106 . . . . 0.0 109.171 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -159.64 -28.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.249 -0.907 . . . . 0.0 110.087 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -68.92 -24.43 64.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.136 -0.977 . . . . 0.0 109.493 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -99.38 -17.37 18.03 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.393 -0.817 . . . . 0.0 109.85 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.0 mt -140.22 110.82 6.76 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' GLU . 86.0 tt0 -109.83 -29.04 8.48 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.409 -0.807 . . . . 0.0 109.442 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' GLU . 78.4 mm-40 -61.03 -129.68 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.351 -0.843 . . . . 0.0 109.717 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.2 mt 49.02 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.072 -1.018 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -103.77 -16.39 15.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.268 -0.895 . . . . 0.0 109.159 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 84.0 tt0 -123.12 144.93 49.0 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -59.97 -35.42 74.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.042 -1.036 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 86.7 tt0 -54.34 -30.27 50.94 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.032 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.31 -33.71 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.0 108.722 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.48 -42.42 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.37 -0.831 . . . . 0.0 108.854 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 48.0 t0 -60.05 -42.67 94.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.015 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.72 -42.63 97.64 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.15 -0.969 . . . . 0.0 108.659 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.24 -39.93 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.489 -0.757 . . . . 0.0 109.103 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 96.0 mmm -65.25 -40.7 94.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.752 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -61.0 -48.02 83.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.178 -0.951 . . . . 0.0 109.53 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -68.86 -40.19 79.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.2 tp -72.12 -40.08 68.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.487 -0.758 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' MET . 45.3 t0 -80.73 54.63 2.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 110.746 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.26 -38.91 84.97 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 2.9 p-10 -59.65 -34.77 73.25 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.957 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 87.79 87.88 1.13 Allowed Glycine 0 N--CA 1.488 2.118 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 82.2 m-20 -147.17 -30.08 0.35 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.558 -0.966 . . . . 0.0 110.855 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.42 -13.78 61.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -137.35 160.5 38.9 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 t -100.78 107.14 18.64 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.762 -1.212 . . . . 0.0 109.437 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 173.01 4.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 111.111 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.07 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.49 HE21 ' CG2' ' B' ' 82' ' ' THR . 26.2 mp0 -58.38 -52.82 64.01 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.757 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 75' ' ' ALA . 82.1 mt-10 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 63.2 t80 -47.25 -39.2 13.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -69.72 -25.78 64.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.306 -0.871 . . . . 0.0 108.816 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -66.3 -56.4 11.34 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.04 -39.18 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 73' ' ' PHE . 54.8 t -60.06 -45.48 95.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -65.9 -42.13 90.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.487 -0.758 . . . . 0.0 109.602 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 83' ' ' ALA . 64.9 mmm -55.72 -41.24 73.58 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.742 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.6 m -84.45 -49.95 8.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.625 0.726 . . . . 0.0 109.437 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.508 ' CG2' HE21 ' B' ' 71' ' ' GLN . 4.2 m -70.89 -19.15 62.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.668 -0.645 . . . . 0.0 110.091 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -75.53 -40.64 56.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.12 -0.987 . . . . 0.0 109.474 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.835 . . . . 0.0 109.953 -179.275 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.89 -35.03 74.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 0.0 109.864 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.02 -32.78 71.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.852 -1.155 . . . . 0.0 110.689 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -62.62 -45.87 90.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.812 -1.18 . . . . 0.0 109.564 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.97 -38.11 84.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.266 -0.896 . . . . 0.0 110.82 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.92 -48.87 79.95 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.572 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.21 -43.14 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.065 -1.022 . . . . 0.0 110.175 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.08 -40.03 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.95 87.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.031 -1.043 . . . . 0.0 110.222 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.19 -44.36 96.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.92 -51.45 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.751 -1.218 . . . . 0.0 109.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.98 -43.67 94.97 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.195 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.16 -39.93 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 0.0 109.873 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -64.48 -59.91 3.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.349 -0.845 . . . . 0.0 110.775 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -61.19 -40.95 95.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 112.035 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -70.27 -40.89 74.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.197 -1.564 . . . . 0.0 109.544 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 61.2 t80 -73.22 -43.97 60.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.633 0.73 . . . . 0.0 109.275 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.6 t -73.18 -23.17 60.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.69 -0.632 . . . . 0.0 110.328 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.23 23.38 15.18 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -83.37 -44.17 15.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.954 -1.321 . . . . 0.0 108.824 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -148.86 156.01 41.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.334 -0.853 . . . . 0.0 109.595 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.86 -171.85 55.18 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.27 150.53 29.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -1.05 . . . . 0.0 109.591 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 68.4 mttm -74.4 136.8 42.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 0.0 109.882 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.534 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 24.9 t-80 93.7 -15.35 0.12 Allowed 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 123.111 0.564 . . . . 0.0 110.581 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.71 116.28 31.42 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.924 . . . . 0.0 109.775 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.8 mm? -94.67 120.18 34.48 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.157 -0.965 . . . . 0.0 109.381 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -90.98 163.43 14.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.622 -0.674 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.01 -44.9 83.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.091 -1.005 . . . . 0.0 110.362 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.2 t -60.64 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.902 -1.124 . . . . 0.0 108.825 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.02 -36.28 79.67 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.94 -41.2 74.88 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.891 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.77 -40.0 95.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.672 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -43.49 95.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.432 -0.792 . . . . 0.0 109.741 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.53 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.5 tp -59.99 -41.91 93.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.628 -179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.35 -40.23 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.21 -0.931 . . . . 0.0 109.747 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.94 -19.89 46.94 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.464 -0.772 . . . . 0.0 110.72 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.07 -56.89 16.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.116 -0.99 . . . . 0.0 111.515 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -144.76 -6.33 0.69 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.74 -1.225 . . . . 0.0 110.461 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.6 tp -90.81 123.18 34.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.955 -1.09 . . . . 0.0 109.21 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -159.48 -29.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.291 -0.881 . . . . 0.0 110.204 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -68.73 -24.34 64.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.068 -1.02 . . . . 0.0 109.501 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -99.5 -17.4 17.92 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.809 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.26 110.82 6.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.234 -0.916 . . . . 0.0 109.066 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 46' ' ' GLU . 85.8 tt0 -109.85 -29.09 8.45 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.328 -0.858 . . . . 0.0 109.477 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 45' ' ' GLU . 78.1 mm-40 -60.97 -129.4 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.345 -0.847 . . . . 0.0 109.686 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mt 48.95 63.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -103.84 -16.22 15.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.208 -0.932 . . . . 0.0 109.144 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 83.7 tt0 -123.14 144.75 49.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.95 -35.11 74.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.963 -1.086 . . . . 0.0 109.176 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 86.7 tt0 -54.74 -30.26 55.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.305 -0.872 . . . . 0.0 108.91 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.44 -33.56 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 108.667 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.75 -42.07 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.386 -0.821 . . . . 0.0 108.856 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 48.8 t0 -60.08 -42.87 95.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.48 -0.763 . . . . 0.0 109.971 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.61 -42.81 97.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.14 -0.975 . . . . 0.0 108.526 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -40.0 83.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.532 -0.73 . . . . 0.0 109.071 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.3 mmm -65.23 -40.94 94.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.426 -0.796 . . . . 0.0 109.739 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -60.81 -47.89 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.15 -0.969 . . . . 0.0 109.552 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.09 -40.33 78.46 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.77 -40.74 69.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.567 -0.708 . . . . 0.0 109.844 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -80.35 54.86 2.1 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.22 -38.59 83.84 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 2.9 p-10 -59.8 -34.77 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.928 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 87.79 87.78 1.13 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 82.7 m-20 -146.89 -30.41 0.35 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.455 -1.027 . . . . 0.0 110.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.86 -13.99 61.46 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -137.19 160.98 37.44 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.19 107.23 18.57 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.873 -1.142 . . . . 0.0 109.372 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.79 173.15 4.58 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.367 -0.833 . . . . 0.0 111.146 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.06 -49.95 75.63 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.445 0.64 . . . . 0.0 109.374 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.508 HE21 ' CG2' ' A' ' 82' ' ' THR . 26.3 mp0 -58.4 -52.76 64.26 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.356 -0.937 . . . . 0.0 108.778 -179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 75' ' ' ALA . 84.5 mt-10 -60.07 -46.58 89.09 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -47.17 -39.39 13.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -69.81 -25.58 63.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 108.898 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -66.73 -55.74 13.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.44 -39.14 67.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.0 -45.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -65.98 -42.14 90.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.591 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 83' ' ' ALA . 66.1 mmm -55.87 -41.05 73.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 108.746 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.12 -30.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -84.38 -49.95 8.24 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.622 0.725 . . . . 0.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.49 ' CG2' HE21 ' A' ' 71' ' ' GLN . 4.5 m -71.11 -19.25 62.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.16 -41.07 58.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.449 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 88.7 m . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 110.016 -179.185 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.71 -30.41 70.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.861 -1.15 . . . . 0.0 109.518 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 3' ' ' LEU . 7.9 mp -70.7 -32.18 69.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.181 -0.95 . . . . 0.0 109.509 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 8' ' ' VAL . 85.5 tt0 -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.078 -1.014 . . . . 0.0 108.683 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.58 -40.19 84.84 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 109.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.34 82.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 109.786 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.519 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 23.6 tpp -64.81 -52.52 56.37 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.12 0.962 . . . . 0.0 108.582 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 4' ' ' GLU . 74.7 t -59.74 -40.0 81.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.649 -0.657 . . . . 0.0 109.815 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.35 93.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.032 -1.042 . . . . 0.0 109.498 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.57 -49.42 77.61 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.205 -0.934 . . . . 0.0 111.502 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.86 -49.3 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -58.77 -40.99 85.56 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.47 -41.35 78.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 110.031 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.07 -58.49 5.93 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.924 -1.11 . . . . 0.0 111.092 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.5 -40.53 87.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.978 -1.076 . . . . 0.0 111.02 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -68.32 -39.84 81.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.347 -1.471 . . . . 0.0 108.02 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.495 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 64.6 t80 -73.21 -41.04 64.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.566 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -69.48 -18.69 63.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.36 22.99 20.8 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -80.29 -47.16 14.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.757 -1.437 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -150.86 147.25 27.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 -169.8 50.91 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -73.45 147.95 43.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.499 -1.0 . . . . 0.0 109.261 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 96.7 mttt -70.1 140.02 52.63 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.595 -0.691 . . . . 0.0 110.045 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.0 t60 78.33 39.13 0.15 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.713 . . . . 0.0 109.359 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.87 109.51 3.43 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -97.22 116.36 29.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.639 -1.288 . . . . 0.0 109.787 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -87.17 160.95 18.32 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -57.54 -41.09 80.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.907 -1.121 . . . . 0.0 109.387 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -64.19 -39.66 94.44 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 108.688 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -69.73 -37.22 76.43 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.426 1.108 . . . . 0.0 108.687 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.82 -41.51 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.56 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 50.9 tp10 -64.21 -44.35 92.19 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.046 -1.034 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.0 tt -59.9 -48.77 80.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.407 -0.808 . . . . 0.0 110.522 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.0 mt -60.58 -46.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.247 -0.908 . . . . 0.0 109.266 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.17 -43.45 98.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.034 -1.041 . . . . 0.0 110.895 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 90.6 m-20 -81.26 -46.83 14.2 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.809 -1.182 . . . . 0.0 111.757 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -88.03 -74.96 0.43 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.784 -1.198 . . . . 0.0 111.279 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 36' ' ' ILE . 61.6 tp -85.32 93.5 8.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.781 -1.2 . . . . 0.0 110.319 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -145.46 -33.5 0.35 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.294 -0.879 . . . . 0.0 109.012 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -68.81 -19.01 64.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.601 -0.687 . . . . 0.0 110.932 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.6 -15.36 13.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.119 -0.988 . . . . 0.0 109.823 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.7 tp -140.0 140.83 36.34 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.281 -0.887 . . . . 0.0 108.629 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -125.08 -109.41 0.32 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.577 -0.702 . . . . 0.0 110.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 47.29 -142.35 0.43 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.327 -0.858 . . . . 0.0 109.885 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 47' ' ' ILE . 87.7 mt 49.87 70.0 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.16 -0.963 . . . . 0.0 110.397 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -107.44 -12.32 15.33 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.152 -0.968 . . . . 0.0 109.661 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 88.3 tt0 -136.1 150.69 49.22 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.228 -0.92 . . . . 0.0 109.595 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.97 . . . . 0.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 76.9 mm-40 -57.05 -32.64 66.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.848 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.4 -35.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.738 -1.226 . . . . 0.0 107.73 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.88 -40.54 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.04 -40.87 90.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.421 -0.799 . . . . 0.0 109.863 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -67.03 -50.99 60.31 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 118.884 -1.127 . . . . 0.0 108.725 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -63.31 -43.34 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.657 -0.652 . . . . 0.0 110.429 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.61 -49.45 76.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.181 -0.949 . . . . 0.0 109.608 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -40.69 92.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.052 -1.03 . . . . 0.0 109.129 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.2 m -66.99 -40.07 87.29 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.63 HD23 ' C ' ' A' ' 60' ' ' LEU . 7.4 tt -59.71 -46.78 88.05 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.55 -0.718 . . . . 0.0 109.149 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' A' ' 57' ' ' MET . 99.3 m-20 -62.52 100.01 0.17 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 110.533 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.46 -39.91 89.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.481 -0.762 . . . . 0.0 109.573 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -95.7 -1.64 49.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.487 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 23.85 74.71 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 119.148 -1.501 . . . . 0.0 110.279 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 34.4 p-10 -66.32 -8.24 23.93 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.059 -1.26 . . . . 0.0 109.61 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -22.18 11.7 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -121.31 175.88 5.92 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.355 -1.085 . . . . 0.0 108.407 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.9 t -113.39 103.47 11.33 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-O 121.93 0.871 . . . . 0.0 109.065 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.25 169.03 12.93 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.136 0.969 . . . . 0.0 110.863 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.567 0.699 . . . . 0.0 109.192 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -59.94 -56.87 16.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 108.947 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.6 mt-10 -59.9 -40.99 90.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.004 . . . . 0.0 108.545 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -48.76 -40.84 30.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -65.53 -34.12 77.51 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.189 -0.944 . . . . 0.0 108.994 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.78 -55.03 34.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.8 -39.23 71.02 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.71 -45.34 97.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 81' ' ' THR . 70.9 m -66.6 -43.52 84.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.346 -0.846 . . . . 0.0 109.192 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 83' ' ' ALA . 55.6 ttm -50.81 -40.53 55.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.07 . . . . 0.0 108.885 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.64 -26.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 78' ' ' SER . 4.6 m -82.59 -50.92 8.26 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.439 0.637 . . . . 0.0 109.364 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.422 ' CG2' HE22 ' B' ' 71' ' ' GLN . 30.6 p -72.46 -19.55 61.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.458 -0.777 . . . . 0.0 110.266 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -74.79 -47.48 30.6 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.905 -1.122 . . . . 0.0 109.444 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.4 m -78.86 130.15 35.35 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.697 -0.627 . . . . 0.0 109.349 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -80.62 162.42 24.24 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.73 114.59 7.22 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.041 -1.037 . . . . 0.0 109.281 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 63.0 t80 -100.84 -0.47 36.89 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -87.35 9.7 19.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.508 -0.745 . . . . 0.0 109.893 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -88.42 -7.67 56.24 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.148 -0.97 . . . . 0.0 109.168 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -100.78 142.93 31.55 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.334 -0.854 . . . . 0.0 109.496 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--N 1.301 -1.511 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.271 179.621 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.89 -30.65 70.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.663 -1.273 . . . . 0.0 109.59 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.649 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.1 mp -70.44 -32.23 69.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.146 -0.971 . . . . 0.0 109.463 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -41.48 92.36 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.403 -0.919 . . . . 0.0 108.677 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -67.34 -39.95 85.82 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.015 -1.053 . . . . 0.0 109.401 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.09 78.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.27 -0.894 . . . . 0.0 109.286 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.462 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 25.7 tpp -63.33 -53.2 56.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 122.047 0.927 . . . . 0.0 108.711 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.01 -40.35 82.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.741 -0.599 . . . . 0.0 109.779 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.28 92.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.056 -1.028 . . . . 0.0 109.579 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.81 -49.36 77.79 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 111.623 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -60.26 -48.93 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 0.0 109.457 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.2 -40.24 85.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.605 -0.684 . . . . 0.0 109.233 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.61 -42.29 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 110.078 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.05 -57.87 7.54 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.893 -1.13 . . . . 0.0 111.511 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -59.95 -40.08 87.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.851 -1.156 . . . . 0.0 110.681 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -68.33 -39.44 81.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.427 -1.42 . . . . 0.0 108.409 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.492 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 59.8 t80 -74.15 -40.79 62.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.489 -0.757 . . . . 0.0 110.428 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 43.5 m -69.7 -17.58 63.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.884 -1.135 . . . . 0.0 109.732 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.88 21.83 28.39 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -79.83 -46.95 15.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.727 -1.455 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -150.95 146.92 26.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.308 -0.87 . . . . 0.0 109.827 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -170.01 50.0 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -73.29 148.35 43.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -1.06 . . . . 0.0 109.238 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 97.0 mttt -70.56 140.04 51.65 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.0 t60 78.47 39.83 0.13 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.533 -0.729 . . . . 0.0 109.131 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -153.37 109.76 3.36 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.55 115.59 28.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.828 -1.17 . . . . 0.0 109.929 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -86.68 160.47 18.85 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -57.2 -42.51 81.41 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.772 -1.205 . . . . 0.0 109.196 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -62.26 -39.99 94.74 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.111 -0.993 . . . . 0.0 108.591 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 122.294 1.045 . . . . 0.0 109.059 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 tp -63.1 -41.58 99.4 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.2 -42.32 98.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.6 tp10 -63.19 -44.83 94.29 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.345 -0.847 . . . . 0.0 109.817 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.492 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.7 tt -59.93 -48.83 80.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 110.168 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -60.1 -46.43 94.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.313 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -62.11 -42.24 99.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.816 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 88.5 m-20 -82.4 -46.22 13.81 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.828 -1.17 . . . . 0.0 111.647 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -88.58 -75.37 0.43 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.883 -1.136 . . . . 0.0 111.33 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 36' ' ' ILE . 63.2 tp -84.58 92.73 8.2 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.999 -1.063 . . . . 0.0 110.04 -178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.5 p -144.8 -33.88 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.231 -0.918 . . . . 0.0 109.336 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -68.42 -19.7 64.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.629 -0.67 . . . . 0.0 110.972 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -111.5 -15.9 13.42 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.155 -0.965 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 tp -139.88 141.03 36.61 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.189 -0.945 . . . . 0.0 108.584 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -125.28 -109.94 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.568 -0.708 . . . . 0.0 110.071 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 48.14 -141.98 0.52 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.308 -0.87 . . . . 0.0 109.732 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.413 ' O ' HG22 ' B' ' 47' ' ' ILE . 86.5 mt 50.21 69.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 0.0 110.264 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -107.71 -12.63 15.19 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.283 -0.886 . . . . 0.0 109.687 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.458 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 87.0 tt0 -135.89 150.63 49.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 0.0 109.368 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.28 -39.62 87.52 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.433 -0.792 . . . . 0.0 109.957 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 76.5 mm-40 -57.11 -32.1 65.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.172 -0.955 . . . . 0.0 109.897 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.88 -36.36 75.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.55 -41.65 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -60.22 -40.08 88.93 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.503 -0.748 . . . . 0.0 110.175 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.99 -51.57 53.43 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.89 -1.131 . . . . 0.0 108.658 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.73 -42.93 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.486 -0.759 . . . . 0.0 110.732 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.46 ' SD ' ' OD2' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -62.13 -49.41 75.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.98 -1.075 . . . . 0.0 109.826 -178.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.34 -40.91 92.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.814 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.9 m -66.29 -39.98 89.72 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.617 ' C ' HD23 ' B' ' 60' ' ' LEU . 8.0 tt -59.97 -47.11 87.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.612 -0.68 . . . . 0.0 109.295 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.46 ' OD2' ' SD ' ' B' ' 57' ' ' MET . 98.1 m-20 -62.26 100.03 0.16 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.757 0.789 . . . . 0.0 110.354 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.47 -39.66 88.44 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -96.04 -2.23 47.23 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.435 -0.79 . . . . 0.0 111.366 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.75 23.29 75.65 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.082 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 33.1 p-10 -65.4 -8.85 20.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.096 -1.238 . . . . 0.0 109.524 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.09 -25.43 7.76 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -119.59 172.64 7.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.187 -1.184 . . . . 0.0 108.426 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -108.41 104.92 14.38 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.176 -0.952 . . . . 0.0 109.342 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -70.09 169.53 13.29 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 122.05 0.928 . . . . 0.0 111.142 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -60.71 -43.57 97.65 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.691 0.758 . . . . 0.0 109.181 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.422 HE22 ' CG2' ' A' ' 82' ' ' THR . 87.0 mm-40 -60.22 -57.04 14.5 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.18 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.5 mt-10 -59.89 -40.62 89.36 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.42 ' O ' HG23 ' B' ' 77' ' ' VAL . 80.9 t80 -48.17 -40.19 23.17 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.68 -35.15 79.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.345 -0.847 . . . . 0.0 108.862 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.34 -55.14 37.19 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.08 -40.16 73.18 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 73' ' ' PHE . 54.7 t -59.81 -45.1 95.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.532 ' O ' ' N ' ' B' ' 81' ' ' THR . 67.9 m -67.25 -43.95 80.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.334 -0.854 . . . . 0.0 108.937 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.432 ' O ' ' N ' ' B' ' 83' ' ' ALA . 55.5 ttm -50.32 -41.42 51.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.005 -1.06 . . . . 0.0 108.879 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.88 -26.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.532 ' N ' ' O ' ' B' ' 78' ' ' SER . 4.4 m -82.99 -51.56 7.46 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.5 p -71.81 -19.96 61.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.611 -0.68 . . . . 0.0 110.391 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -74.37 -47.68 32.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.927 -1.108 . . . . 0.0 109.36 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 81.6 m -79.0 129.39 34.39 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.466 0.65 . . . . 0.0 109.476 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -80.11 161.34 25.37 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.51 114.65 7.1 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.167 -0.958 . . . . 0.0 109.527 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' B' ' 87' ' ' PHE . 63.9 t80 -101.23 -0.61 35.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.845 . . . . 0.0 108.904 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -86.64 9.29 19.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.452 -0.78 . . . . 0.0 109.937 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -88.4 -7.16 57.09 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.275 -0.89 . . . . 0.0 109.085 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -100.84 143.15 31.34 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.402 -0.811 . . . . 0.0 109.224 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.297 -1.69 0 CA-C-O 117.84 -1.076 . . . . 0.0 109.351 179.433 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.29 -31.3 72.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.217 -0.927 . . . . 0.0 110.002 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -69.96 -30.45 67.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.083 -1.01 . . . . 0.0 109.263 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.78 -39.98 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.329 -0.857 . . . . 0.0 109.898 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -64.41 -40.05 95.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.993 . . . . 0.0 109.834 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.93 83.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.414 -0.804 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -60.15 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.222 -0.924 . . . . 0.0 108.942 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.83 -40.08 81.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -42.86 92.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.678 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.91 -50.06 75.23 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.059 -1.025 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -61.96 -49.93 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 110.219 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.9 -40.13 87.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.272 -0.892 . . . . 0.0 109.43 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -40.74 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.915 . . . . 0.0 109.652 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.76 -55.97 21.76 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.982 -1.074 . . . . 0.0 111.274 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.97 -42.14 93.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.884 -1.135 . . . . 0.0 111.12 -176.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.485 ' O ' ' NH1' ' A' ' 20' ' ' ARG . 27.2 mt-30 -70.45 -40.19 73.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.109 -1.619 . . . . 0.0 109.639 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.64 -46.64 65.73 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.768 0.794 . . . . 0.0 109.12 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.0 t -70.93 -14.85 62.52 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.96 14.35 62.16 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.485 ' NH1' ' O ' ' A' ' 16' ' ' GLN . 80.6 mmt-85 -72.73 -40.16 66.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.412 . . . . 0.0 109.039 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.45 1.94 33.1 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.89 3.06 90.58 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -90.08 84.68 6.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.333 -1.098 . . . . 0.0 110.034 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -75.86 161.74 28.73 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.431 ' NE2' ' OE2' ' B' ' 86' ' ' GLU . 89.9 m-70 45.26 33.58 1.23 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.615 -1.303 . . . . 0.0 110.828 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -169.68 97.39 0.31 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.0 mp -96.68 128.86 44.03 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.82 157.51 19.56 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.505 -0.747 . . . . 0.0 110.246 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 35.8 ttpt -55.2 -46.36 75.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.661 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -60.13 -37.51 80.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.892 -1.13 . . . . 0.0 108.41 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -69.96 -40.02 75.66 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.1 -46.42 90.68 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.93 -41.09 95.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.366 -0.834 . . . . 0.0 109.678 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.95 -44.55 94.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 0.0 109.336 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.0 -46.85 88.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.608 -0.683 . . . . 0.0 110.282 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.15 -49.71 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.037 -1.039 . . . . 0.0 111.155 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.956 -1.09 . . . . 0.0 110.069 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -76.33 -47.44 23.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.847 . . . . 0.0 110.957 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -84.01 -71.62 0.5 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.197 -0.939 . . . . 0.0 112.65 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -91.77 121.05 33.05 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.765 -1.209 . . . . 0.0 111.619 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.3 m -135.47 -48.54 0.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.84 -20.01 53.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.53 -0.731 . . . . 0.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.67 -17.63 17.68 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.323 -0.86 . . . . 0.0 109.91 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.96 135.39 10.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -171.34 -133.69 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 53.77 29.96 10.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -95.61 115.5 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.182 -0.949 . . . . 0.0 108.503 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -89.96 -79.53 0.34 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.225 -0.922 . . . . 0.0 110.576 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.28 166.62 10.47 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.825 0.821 . . . . 0.0 110.717 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.0 tt0 -60.01 -37.82 80.84 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.479 0.657 . . . . 0.0 109.275 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 47.9 mp0 -48.03 -30.79 4.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.195 -0.941 . . . . 0.0 109.082 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.62 -36.02 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.063 -1.023 . . . . 0.0 108.493 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.1 t -66.99 -39.97 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD1' ' NZ ' ' A' ' 29' ' ' LYS . 90.2 m-20 -59.92 -39.61 86.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 0.0 109.136 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.96 -48.41 81.81 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.383 -0.823 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.98 -41.48 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.94 -41.37 95.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.311 -0.868 . . . . 0.0 111.078 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.24 -40.93 91.99 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.057 -1.027 . . . . 0.0 109.896 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.23 -38.62 78.61 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.36 -0.837 . . . . 0.0 109.841 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.7 mt -70.02 -39.94 75.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.468 -0.77 . . . . 0.0 110.358 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -66.85 101.76 0.87 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.068 -1.02 . . . . 0.0 110.261 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.62 -39.97 92.08 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.582 -0.699 . . . . 0.0 109.61 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -89.87 -11.17 42.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.189 -0.944 . . . . 0.0 110.623 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.08 29.05 73.22 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -77.67 -0.58 27.24 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.247 -1.149 . . . . 0.0 110.287 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.7 -2.95 71.15 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.63 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -131.51 163.87 27.05 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.864 -1.374 . . . . 0.0 108.284 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -104.56 103.59 13.29 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.903 -1.123 . . . . 0.0 109.833 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.0 t0 -71.44 176.59 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 110.955 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 58.1 t80 -60.07 -49.95 75.63 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.493 0.663 . . . . 0.0 109.572 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.5 -52.6 64.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.627 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.95 -44.13 94.59 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -47.96 -43.22 29.21 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 tpt -69.68 -39.67 76.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -14.79 4.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.121 -0.987 . . . . 0.0 111.119 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -92.23 -26.41 18.19 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.87 -41.82 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.351 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' THR . 46.7 t -71.48 -49.46 41.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.944 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 ttm -49.92 -41.32 45.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.088 -1.007 . . . . 0.0 109.55 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.64 -25.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -78.67 -49.75 12.63 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.8 p -71.07 -15.13 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.694 -0.629 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.47 -44.23 62.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 0.0 110.1 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 81' ' ' THR . 27.6 p -69.39 160.02 32.11 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.172 -0.955 . . . . 0.0 110.171 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -70.76 160.07 33.36 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.572 0.701 . . . . 0.0 109.824 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.466 ' OE2' ' NE2' ' B' ' 25' ' ' HIS . 97.2 mt-10 -60.04 -39.98 87.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.605 -0.684 . . . . 0.0 109.713 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -68.22 139.54 56.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.277 -0.89 . . . . 0.0 109.717 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -77.44 146.98 36.19 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.31 -0.868 . . . . 0.0 109.992 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -105.66 101.89 11.38 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.582 -0.699 . . . . 0.0 109.36 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 91' ' ' GLU . 86.5 t60 -71.0 -40.26 71.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.891 -1.13 . . . . 0.0 109.546 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' HIS . 86.5 tt0 . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.819 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.6 -31.04 72.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.774 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.99 -30.45 67.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 109.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.84 -40.14 94.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.313 -0.867 . . . . 0.0 109.763 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -64.4 -40.04 95.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.974 -1.079 . . . . 0.0 109.847 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -48.07 83.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.202 -0.936 . . . . 0.0 109.44 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.95 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.01 . . . . 0.0 109.024 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.93 -39.94 81.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.62 93.68 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.819 -1.175 . . . . 0.0 109.567 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.06 -49.85 76.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.927 -1.108 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.09 -49.9 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.007 -1.058 . . . . 0.0 110.223 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.05 -39.99 87.89 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.434 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.67 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.256 -0.902 . . . . 0.0 109.757 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.81 -55.84 22.77 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.095 -1.003 . . . . 0.0 111.24 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -59.95 -42.63 94.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.961 -1.087 . . . . 0.0 111.081 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.47 ' O ' ' NH1' ' B' ' 20' ' ' ARG . 27.2 mt-30 -70.06 -39.97 75.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.191 -1.568 . . . . 0.0 109.909 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -69.89 -46.63 65.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.776 0.798 . . . . 0.0 109.097 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -70.87 -14.98 62.59 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.01 14.55 61.7 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' B' ' 16' ' ' GLN . 80.2 mmt-85 -72.78 -40.06 66.25 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.734 -1.451 . . . . 0.0 109.11 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -103.6 2.21 33.05 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.691 -0.63 . . . . 0.0 109.327 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 3.34 90.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -90.38 84.74 6.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -1.119 . . . . 0.0 110.039 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -75.82 161.5 28.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.466 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 89.9 m-70 45.15 33.78 1.21 Allowed 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.62 -1.3 . . . . 0.0 110.822 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -169.8 97.52 0.3 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.39 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.418 ' N ' HD12 ' B' ' 27' ' ' LEU . 11.0 mp -96.88 128.64 44.04 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -86.5 157.54 19.76 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.485 -0.759 . . . . 0.0 110.317 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.514 ' NZ ' ' OD1' ' B' ' 54' ' ' ASP . 35.3 ttpt -55.42 -46.27 76.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -0.906 . . . . 0.0 109.708 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.8 p -60.02 -37.68 80.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.959 -1.088 . . . . 0.0 108.346 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.92 -39.93 75.87 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -61.23 -46.08 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.1 -41.06 95.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.41 -0.806 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.09 -44.6 94.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -0.823 . . . . 0.0 109.212 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.98 -46.91 87.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.51 -0.744 . . . . 0.0 110.294 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -60.03 -49.65 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.984 -1.072 . . . . 0.0 111.141 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.12 -39.91 87.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 110.136 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.52 -47.25 23.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 111.016 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -83.99 -71.31 0.51 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.317 -0.864 . . . . 0.0 112.731 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.8 mt -92.13 121.2 33.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.849 -1.157 . . . . 0.0 111.508 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 52.2 m -135.79 -48.33 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -77.85 -19.99 53.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.591 -0.693 . . . . 0.0 109.472 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.73 -17.71 17.6 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.238 -0.914 . . . . 0.0 109.808 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -157.94 135.47 10.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.31 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -171.25 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 53.61 29.73 9.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.106 -0.996 . . . . 0.0 109.695 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -95.34 115.46 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.105 -0.997 . . . . 0.0 108.497 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -89.97 -79.47 0.34 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.657 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -102.19 167.16 10.18 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.777 0.798 . . . . 0.0 110.83 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' B' ' 53' ' ' VAL . 29.7 tt0 -59.93 -38.32 82.04 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.533 0.682 . . . . 0.0 109.275 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 48.2 mp0 -47.78 -30.9 4.32 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.155 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.65 -35.79 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.054 -1.029 . . . . 0.0 108.605 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.3 t -67.19 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.514 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 90.5 m-20 -59.93 -39.36 85.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.41 -0.806 . . . . 0.0 109.088 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.97 -49.04 79.22 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.44 -41.59 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.257 -0.902 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 ttt -64.7 -41.62 95.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.309 -0.87 . . . . 0.0 111.059 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.05 -41.44 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.115 -0.991 . . . . 0.0 109.852 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.98 -38.48 79.37 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.365 -0.834 . . . . 0.0 109.791 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.03 -40.98 74.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.415 -0.803 . . . . 0.0 110.093 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -66.1 102.64 0.84 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.783 -1.198 . . . . 0.0 110.377 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.97 -40.02 90.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.58 -0.7 . . . . 0.0 109.545 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -89.67 -11.0 43.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.704 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.99 73.33 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.7 -0.57 27.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.271 -1.135 . . . . 0.0 110.333 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.73 -3.04 70.92 Favored Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.973 -1.108 . . . . 0.0 111.69 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -131.37 163.64 27.43 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.969 -1.312 . . . . 0.0 108.309 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.21 103.54 13.32 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.994 -1.066 . . . . 0.0 109.911 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.2 t0 -71.38 176.48 4.6 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.314 -0.866 . . . . 0.0 111.072 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 57.9 t80 -59.95 -50.04 75.32 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.575 0.702 . . . . 0.0 109.615 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.31 -52.68 64.6 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.615 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.99 -44.53 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.91 -1.119 . . . . 0.0 108.013 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -47.38 -43.29 23.26 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -69.75 -39.65 76.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -14.76 4.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 111.208 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -92.32 -26.7 17.99 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.7 -41.68 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.354 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.455 ' O ' ' N ' ' B' ' 81' ' ' THR . 48.2 t -71.72 -49.47 39.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.105 -0.997 . . . . 0.0 109.937 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttm -49.82 -41.29 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.036 . . . . 0.0 109.539 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.51 -25.91 36.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.455 ' N ' ' O ' ' B' ' 78' ' ' SER . 23.2 m -78.89 -49.61 12.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.5 p -71.08 -15.06 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.74 -0.6 . . . . 0.0 109.698 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 27.5 p -69.46 160.06 32.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 110.209 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -70.86 160.22 33.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.532 -0.73 . . . . 0.0 109.92 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.431 ' OE2' ' NE2' ' A' ' 25' ' ' HIS . 96.9 mt-10 -60.02 -40.2 88.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.54 -0.725 . . . . 0.0 109.62 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -67.98 139.53 56.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.0 109.693 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -77.49 147.2 35.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 0.0 109.954 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -105.78 101.94 11.41 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.452 -0.78 . . . . 0.0 109.287 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' B' ' 91' ' ' GLU . 86.5 t60 -70.95 -40.3 72.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.866 -1.146 . . . . 0.0 109.404 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' B' ' 90' ' ' HIS . 86.7 tt0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.833 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.41 -30.59 71.0 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.146 -0.971 . . . . 0.0 109.947 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.57 -33.1 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.297 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.91 -40.27 92.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.98 -40.39 96.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.018 -1.051 . . . . 0.0 109.719 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.81 76.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.058 -1.026 . . . . 0.0 109.289 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.9 ttm -61.57 -50.81 71.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.71 -40.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.951 -1.093 . . . . 0.0 109.242 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.24 -49.76 76.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.052 -1.03 . . . . 0.0 110.71 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -49.97 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.04 -39.73 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.866 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 9' ' ' ALA . 53.4 t -70.29 -42.0 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.918 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.06 -55.82 25.15 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.645 -1.284 . . . . 0.0 111.085 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.46 -39.94 85.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.029 . . . . 0.0 111.601 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -68.66 -36.62 78.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.457 -1.402 . . . . 0.0 109.824 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CE2' ' OE2' ' A' ' 39' ' ' GLU . 14.4 m-85 -83.95 -42.89 15.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.369 -0.832 . . . . 0.0 110.916 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.2 t -70.06 -21.78 63.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.639 -1.288 . . . . 0.0 110.052 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.9 21.35 11.66 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -87.11 -53.66 4.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.235 -1.156 . . . . 0.0 109.256 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -147.41 160.52 42.46 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.237 -0.914 . . . . 0.0 109.288 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.59 -158.18 39.0 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.745 ' H ' ' NZ ' ' A' ' 28' ' ' LYS . 19.2 t0 -78.12 166.15 23.12 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.036 -1.273 . . . . 0.0 108.468 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.77 -39.96 90.75 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.362 -0.836 . . . . 0.0 111.387 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -111.77 1.07 16.45 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.699 -1.25 . . . . 0.0 112.995 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 127.22 53.19 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 120.442 -1.411 . . . . 0.0 109.325 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.71 131.45 45.68 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.424 -0.797 . . . . 0.0 109.161 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.745 ' NZ ' ' H ' ' A' ' 23' ' ' ASP . 14.1 mptt -93.95 166.62 12.07 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 50' ' ' GLN . 38.5 tttm -58.89 -49.33 78.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.38 -0.825 . . . . 0.0 110.282 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 m -60.32 -40.13 89.49 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.726 -1.234 . . . . 0.0 109.71 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.23 -45.01 96.33 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.49 -40.34 90.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 110.206 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.53 -46.45 88.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.105 -0.997 . . . . 0.0 110.55 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.75 -50.08 75.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.911 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 94.1 mt -60.75 -50.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.222 -0.924 . . . . 0.0 109.516 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -61.67 -40.08 93.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 110.681 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -76.59 -56.03 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.179 -0.951 . . . . 0.0 111.214 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 17' ' ' TYR . 95.5 mt-10 -87.18 -75.27 0.41 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.993 -1.067 . . . . 0.0 112.115 -177.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 60.3 tp -82.14 96.12 7.71 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.801 -1.187 . . . . 0.0 110.82 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 36' ' ' ILE . 14.6 m -147.29 -33.56 0.27 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -61.82 -13.2 21.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.589 -0.694 . . . . 0.0 110.435 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.481 ' C ' HD12 ' A' ' 44' ' ' LEU . 91.9 m-85 -111.07 -13.08 14.11 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.046 -1.034 . . . . 0.0 109.562 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.481 HD12 ' C ' ' A' ' 43' ' ' PHE . 11.2 mp -110.08 -89.84 0.48 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.525 -0.734 . . . . 0.0 109.364 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 62.35 8.7 2.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.555 -0.715 . . . . 0.0 109.151 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.87 -14.36 27.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.222 -0.924 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.5 mt -85.58 117.73 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.984 -1.072 . . . . 0.0 109.582 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -126.57 -27.26 3.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.574 -0.704 . . . . 0.0 109.835 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 58.0 mp0 -110.95 149.1 31.14 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.333 -0.854 . . . . 0.0 110.593 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' NE2' ' NZ ' ' A' ' 29' ' ' LYS . 25.2 mm100 -60.56 -39.75 89.14 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.529 0.681 . . . . 0.0 109.486 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -54.51 -33.39 59.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.55 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.08 -35.09 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.047 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.3 t -70.42 -39.98 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 109.177 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.62 -44.59 93.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.47 -0.768 . . . . 0.0 110.276 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.8 -49.28 75.56 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.039 -1.038 . . . . 0.0 108.728 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.59 -41.58 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.64 -0.663 . . . . 0.0 110.402 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttt -60.23 -47.95 83.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.019 -1.05 . . . . 0.0 110.881 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.92 -46.65 88.7 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.002 -1.061 . . . . 0.0 109.681 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.7 m -60.57 -39.14 86.92 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.463 -0.773 . . . . 0.0 110.305 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.74 -40.19 76.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.359 -0.838 . . . . 0.0 110.844 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -66.89 101.29 0.81 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.001 -1.062 . . . . 0.0 109.909 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.1 -40.63 90.31 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.365 -0.835 . . . . 0.0 109.513 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -96.62 -4.6 40.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.312 -0.868 . . . . 0.0 111.345 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.25 72.26 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 120.594 -1.317 . . . . 0.0 110.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -71.45 -5.67 34.61 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.958 -1.319 . . . . 0.0 111.215 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -19.42 44.96 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.883 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 54.6 mp0 -129.69 170.02 14.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.067 -1.255 . . . . 0.0 109.092 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.84 104.96 14.79 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.297 -0.877 . . . . 0.0 109.894 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -69.85 175.35 4.39 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.807 0.813 . . . . 0.0 110.93 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.46 -49.6 76.92 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.462 0.648 . . . . 0.0 109.435 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.515 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 28.3 mp0 -56.75 -54.19 49.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.065 -1.022 . . . . 0.0 108.78 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -42.84 94.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.078 -1.014 . . . . 0.0 108.857 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -48.55 -40.56 27.53 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -67.52 -30.92 70.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 109.186 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.91 -53.24 58.48 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 80' ' ' VAL . 64.7 t80 -53.7 -40.02 65.66 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.92 -43.19 98.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.4 t -69.71 -47.5 62.94 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.491 -0.755 . . . . 0.0 110.187 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -52.28 -44.83 65.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.944 -1.097 . . . . 0.0 109.449 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 76' ' ' PHE . 67.7 t -62.07 -29.57 46.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.1 m -82.03 -49.39 10.28 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.753 0.787 . . . . 0.0 109.159 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 m -72.07 -18.48 61.93 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.299 0.571 . . . . 0.0 109.798 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -69.83 -39.79 76.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.314 -0.866 . . . . 0.0 109.666 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 47.0 t -87.75 130.95 34.66 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.259 -0.901 . . . . 0.0 109.694 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -68.48 153.45 43.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.294 -0.879 . . . . 0.0 108.82 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.75 129.92 43.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.02 -1.05 . . . . 0.0 109.793 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -170.72 95.38 0.21 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.251 -0.906 . . . . 0.0 109.431 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' GLU . 66.2 t80 -89.72 -76.93 0.4 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.206 -0.934 . . . . 0.0 109.58 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' PHE . 24.4 tt0 40.72 -130.06 0.4 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.558 -0.714 . . . . 0.0 109.814 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -158.72 170.56 21.88 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.074 -1.016 . . . . 0.0 109.391 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.373 -179.467 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.66 -31.12 71.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.967 -1.083 . . . . 0.0 109.844 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.01 -32.95 72.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.954 -1.091 . . . . 0.0 109.419 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.56 -40.05 90.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.464 -0.772 . . . . 0.0 109.413 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.5 -40.18 95.17 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.043 -1.036 . . . . 0.0 109.815 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.77 76.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 0.0 109.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.2 ttm -61.85 -50.71 71.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 108.956 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.97 -40.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.424 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.992 -1.068 . . . . 0.0 109.233 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.95 -49.59 77.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 110.972 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.1 -50.02 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.028 -1.045 . . . . 0.0 109.078 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.496 -0.882 . . . . 0.0 108.742 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 9' ' ' ALA . 54.0 t -70.06 -42.28 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.759 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.75 -55.9 25.25 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.673 -1.267 . . . . 0.0 111.142 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -59.45 -39.96 85.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 111.556 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.9 -36.47 78.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.578 -1.326 . . . . 0.0 109.807 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.439 ' CE2' ' OE2' ' B' ' 39' ' ' GLU . 14.1 m-85 -84.05 -42.8 15.76 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.285 -0.885 . . . . 0.0 110.953 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -70.37 -21.37 62.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.362 -1.461 . . . . 0.0 110.023 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.87 21.27 11.76 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -87.44 -52.86 5.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.025 -1.279 . . . . 0.0 109.392 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -148.05 160.06 43.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.313 -0.867 . . . . 0.0 109.047 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.29 -158.52 38.03 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 108.949 -1.661 . . . . 0.0 108.949 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.728 ' H ' ' NZ ' ' B' ' 28' ' ' LYS . 19.9 t0 -78.26 166.75 22.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.978 -1.307 . . . . 0.0 108.218 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.1 -39.67 90.83 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.266 -0.896 . . . . 0.0 111.531 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -112.08 1.03 16.13 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.834 -1.166 . . . . 0.0 112.966 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -106.7 126.76 52.69 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.574 -1.329 . . . . 0.0 109.635 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 87.6 mt -99.32 131.26 45.46 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.27 -0.894 . . . . 0.0 109.195 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.728 ' NZ ' ' H ' ' B' ' 23' ' ' ASP . 13.9 mptt -93.69 166.67 12.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.617 -0.677 . . . . 0.0 109.474 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' NZ ' ' NE2' ' B' ' 50' ' ' GLN . 38.9 tttm -58.81 -49.5 77.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 110.24 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.1 -40.06 88.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.8 -1.188 . . . . 0.0 109.805 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -70.03 -38.32 75.86 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.983 0.897 . . . . 0.0 108.752 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.67 -45.29 94.69 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -60.5 -40.08 90.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.449 -0.782 . . . . 0.0 110.281 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.18 -46.05 88.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.369 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.07 -50.09 75.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.169 -0.957 . . . . 0.0 109.803 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -60.46 -50.05 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.604 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -61.75 -39.94 93.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.146 -0.971 . . . . 0.0 110.797 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -76.66 -56.25 4.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.179 -0.951 . . . . 0.0 111.272 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.439 ' OE2' ' CE2' ' B' ' 17' ' ' TYR . 95.9 mt-10 -86.81 -75.0 0.41 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.879 -1.138 . . . . 0.0 112.135 -177.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' B' ' 36' ' ' ILE . 56.3 tp -82.6 96.71 8.17 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.004 -1.06 . . . . 0.0 110.741 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 36' ' ' ILE . 12.1 m -147.96 -33.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -61.77 -13.15 21.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.488 -0.757 . . . . 0.0 110.58 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.491 ' C ' HD12 ' B' ' 44' ' ' LEU . 92.8 m-85 -111.42 -13.03 13.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.132 -0.98 . . . . 0.0 109.503 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.491 HD12 ' C ' ' B' ' 43' ' ' PHE . 11.2 mp -110.01 -89.99 0.48 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.461 -0.774 . . . . 0.0 109.201 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 62.31 8.59 2.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.447 -0.783 . . . . 0.0 109.035 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -93.06 -14.26 27.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -85.15 116.84 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.937 -1.102 . . . . 0.0 109.789 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -125.74 -27.71 3.33 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.646 -0.659 . . . . 0.0 110.144 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 58.6 mp0 -111.27 149.18 31.41 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.361 -0.837 . . . . 0.0 110.744 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.407 ' NE2' ' NZ ' ' B' ' 29' ' ' LYS . 24.5 mm100 -60.26 -39.77 87.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.702 -0.624 . . . . 0.0 109.745 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -54.91 -32.85 61.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.87 . . . . 0.0 110.344 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.35 -34.64 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.009 -1.057 . . . . 0.0 109.081 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.95 -39.6 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.729 . . . . 0.0 109.183 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.85 -44.56 94.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.293 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -63.21 -49.09 75.58 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 108.598 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.49 -42.02 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.648 -0.657 . . . . 0.0 110.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.9 ttt -60.18 -47.72 84.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.843 -1.161 . . . . 0.0 111.056 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -46.88 87.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.124 -0.985 . . . . 0.0 109.651 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.5 m -60.83 -38.54 85.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.549 -0.719 . . . . 0.0 110.353 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.9 -40.42 75.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.882 . . . . 0.0 110.639 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.26 101.93 0.99 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.811 -1.18 . . . . 0.0 109.686 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.06 -40.25 88.83 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.514 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -97.2 -4.71 38.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 111.364 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.31 29.96 71.69 Favored Glycine 0 N--CA 1.493 2.479 0 O-C-N 120.551 -1.343 . . . . 0.0 110.034 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -71.2 -5.87 35.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.964 -1.315 . . . . 0.0 110.967 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.39 -17.0 54.68 Favored Glycine 0 N--CA 1.494 2.526 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.951 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 53.8 mp0 -130.54 169.55 15.42 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.091 -1.241 . . . . 0.0 108.935 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.81 104.78 14.57 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.367 -0.833 . . . . 0.0 109.857 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -70.12 175.35 4.59 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.889 0.852 . . . . 0.0 111.087 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.1 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.532 0.682 . . . . 0.0 109.741 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.517 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 28.3 mp0 -56.81 -54.26 48.45 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.094 -1.004 . . . . 0.0 108.694 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.56 94.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.999 -1.063 . . . . 0.0 108.823 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.73 -40.67 29.37 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.3 tpt -67.28 -31.55 71.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.146 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.3 -53.25 59.17 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 80' ' ' VAL . 67.6 t80 -53.53 -40.03 65.15 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.35 -43.13 98.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 30.3 t -69.29 -47.64 63.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.411 -0.806 . . . . 0.0 110.267 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.9 ttt -52.72 -44.39 66.32 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.109 -0.995 . . . . 0.0 109.32 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 76' ' ' PHE . 87.6 t -62.36 -29.58 47.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 52.4 m -82.1 -49.7 9.89 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.68 0.752 . . . . 0.0 109.007 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -71.87 -18.21 62.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.714 -0.616 . . . . 0.0 109.792 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -70.01 -40.0 75.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.426 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.87 131.25 34.16 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.226 -0.921 . . . . 0.0 109.784 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -68.96 153.06 44.46 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.173 -0.954 . . . . 0.0 108.712 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.16 129.41 41.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.113 -0.992 . . . . 0.0 110.052 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -170.37 95.51 0.24 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.315 -0.866 . . . . 0.0 109.608 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 89' ' ' GLU . 65.8 t80 -89.75 -76.81 0.41 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.189 -0.945 . . . . 0.0 109.956 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 88' ' ' PHE . 24.5 tt0 40.3 -130.05 0.36 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.45 -0.781 . . . . 0.0 109.918 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -158.61 170.87 21.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.082 -1.011 . . . . 0.0 109.375 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.37 -179.511 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.23 -36.51 73.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 109.77 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -70.62 -34.76 72.46 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.159 -0.963 . . . . 0.0 109.776 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.64 -44.95 94.99 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -60.76 -39.72 89.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.62 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.88 88.13 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 108.835 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.77 -51.18 68.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.463 -0.773 . . . . 0.0 109.759 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.12 -39.57 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.382 -0.824 . . . . 0.0 109.627 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.88 -41.86 92.5 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.131 -0.981 . . . . 0.0 109.007 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.19 -47.11 87.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.902 . . . . 0.0 110.04 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.8 -51.32 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.748 -1.22 . . . . 0.0 110.15 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -58.51 -39.73 80.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 9' ' ' ALA . 55.2 t -68.6 -39.95 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.393 -0.817 . . . . 0.0 109.247 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -60.94 -57.48 12.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.31 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.97 -43.61 94.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.159 -0.963 . . . . 0.0 112.076 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.66 -40.99 98.22 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.225 -1.547 . . . . 0.0 110.22 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.496 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.6 t80 -69.35 -41.56 76.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 109.382 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -69.9 -17.2 63.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.83 19.42 20.97 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -64.21 -40.1 95.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.763 -1.434 . . . . 0.0 108.126 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 23' ' ' ASP . 86.5 tt0 -119.63 153.29 35.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.9 -19.16 0.06 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLU . 95.3 m-20 -90.96 87.19 6.52 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.85 -1.382 . . . . 0.0 109.709 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -88.08 149.91 23.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.402 -0.812 . . . . 0.0 109.54 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 17.0 t60 75.69 33.94 0.61 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.724 0.774 . . . . 0.0 109.179 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' C ' HD22 ' A' ' 27' ' ' LEU . 32.6 tttm -152.54 111.64 3.84 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -98.35 114.52 26.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.175 -0.953 . . . . 0.0 109.342 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 29' ' ' LYS . 57.3 tttm -94.81 165.96 12.22 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' NZ ' ' NZ ' ' A' ' 28' ' ' LYS . 23.8 pttm -59.75 -40.0 86.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.877 -1.139 . . . . 0.0 109.819 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.7 p -64.42 -39.19 93.37 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.69 -31.92 71.36 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.3 tp -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.466 0.651 . . . . 0.0 109.421 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -62.55 -40.53 97.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.354 -0.841 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.84 -42.01 86.47 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.921 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 52.2 tp -60.14 -48.41 81.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.358 -0.839 . . . . 0.0 109.677 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.73 -46.9 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.038 -1.039 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -61.12 -43.16 99.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.228 -0.92 . . . . 0.0 110.989 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -87.19 -26.14 23.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.992 -1.067 . . . . 0.0 111.276 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -87.96 -75.11 0.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.779 -1.201 . . . . 0.0 110.404 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.9 mt -99.37 121.09 40.63 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.15 -0.969 . . . . 0.0 110.513 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -124.94 -56.17 1.57 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -72.38 -20.44 61.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.412 -0.805 . . . . 0.0 109.616 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -101.1 0.13 37.27 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.481 -0.762 . . . . 0.0 109.759 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.497 HD13 ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -139.28 139.93 37.49 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.086 -1.009 . . . . 0.0 109.643 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.497 ' H ' HD13 ' A' ' 44' ' ' LEU . 20.4 pt-20 -75.9 148.36 38.31 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.95 137.65 41.77 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.346 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.9 mt -111.06 120.13 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.459 -0.775 . . . . 0.0 109.219 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -97.08 -21.65 17.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.333 -0.854 . . . . 0.0 110.021 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 53.1 mp0 -100.35 129.82 46.38 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.014 -1.054 . . . . 0.0 110.161 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -69.53 -31.52 69.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.549 -0.72 . . . . 0.0 110.034 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.53 -29.65 68.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.168 -0.958 . . . . 0.0 109.169 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.9 t -70.01 -36.34 68.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.84 -40.69 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.73 -40.29 91.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.755 . . . . 0.0 109.495 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.53 -42.03 95.63 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.5 -40.56 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 94.5 mmm -65.19 -41.47 94.53 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.725 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.46 -46.63 89.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 108.824 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.0 m -66.19 -39.8 89.96 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.633 0.73 . . . . 0.0 109.242 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.08 -40.3 65.14 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -79.11 48.69 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.871 -1.143 . . . . 0.0 110.816 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -38.13 81.77 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 19.9 p-10 -59.98 -32.7 71.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.684 -0.635 . . . . 0.0 109.815 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 96.05 83.64 1.66 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 67' ' ' GLU . 97.9 m-20 -142.32 -29.23 0.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.627 -0.925 . . . . 0.0 110.486 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.4 -9.91 13.03 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 107.891 -2.083 . . . . 0.0 107.891 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' A' ' 65' ' ' ASP . 99.0 mt-10 -134.05 161.19 35.51 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.5 t -109.14 109.06 19.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.77 -1.206 . . . . 0.0 109.287 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -76.82 -177.82 4.54 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.389 1.09 . . . . 0.0 111.357 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.53 -41.27 94.11 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.705 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.91 -57.46 12.76 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -60.53 -39.95 89.73 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.018 . . . . 0.0 109.338 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 77' ' ' VAL . 64.5 t80 -47.28 -40.52 16.94 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -69.93 -31.9 69.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.477 -0.764 . . . . 0.0 109.288 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.49 -59.83 4.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.091 -1.005 . . . . 0.0 109.369 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -54.15 -40.12 67.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 73' ' ' PHE . 54.7 t -60.24 -45.27 96.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.3 p -67.04 -43.91 81.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.262 -0.898 . . . . 0.0 109.937 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.7 ttt -53.68 -41.31 66.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.084 -1.01 . . . . 0.0 108.66 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.52 -30.27 49.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -80.06 -45.23 18.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.0 m -70.21 -16.15 63.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.641 -0.662 . . . . 0.0 109.958 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.3 69.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.039 -1.038 . . . . 0.0 108.987 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.7 t -89.85 69.9 7.57 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -60.41 -41.25 93.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.09 -1.006 . . . . 0.0 109.48 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -81.61 136.62 35.54 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.528 -0.733 . . . . 0.0 109.075 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -69.81 148.28 49.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.965 -1.084 . . . . 0.0 108.6 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 51.6 p90 -60.95 126.08 26.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.781 -1.199 . . . . 0.0 109.429 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -112.98 -2.2 14.32 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -130.5 140.85 50.5 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.311 -0.868 . . . . 0.0 109.426 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.997 179.688 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.73 -36.68 72.38 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.086 -1.009 . . . . 0.0 109.711 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.542 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -71.27 -34.07 70.35 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.09 -1.006 . . . . 0.0 109.779 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.21 -45.06 93.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.903 -1.123 . . . . 0.0 110.186 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.53 -40.08 90.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.947 . . . . 0.0 109.595 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.95 91.28 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.365 -0.834 . . . . 0.0 108.99 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.2 mtp -64.03 -50.68 67.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 0.0 109.479 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.94 -40.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 109.321 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.66 91.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.226 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.13 -46.89 88.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.154 -0.967 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.85 -51.23 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 120.801 -1.187 . . . . 0.0 109.794 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -58.31 -40.12 81.2 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.412 HG11 HD23 ' A' ' 3' ' ' LEU . 53.9 t -68.24 -40.08 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.434 -0.791 . . . . 0.0 109.322 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.49 -57.84 11.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.158 -0.964 . . . . 0.0 110.55 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -60.0 -43.27 95.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 111.987 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -64.26 -40.8 96.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.309 -1.494 . . . . 0.0 110.013 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.486 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 68.5 t80 -68.3 -42.27 79.68 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.551 -0.859 . . . . 0.0 109.287 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p -69.81 -17.4 63.4 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.64 -0.663 . . . . 0.0 109.697 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.35 19.75 21.39 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.99 -40.02 95.45 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.763 -1.434 . . . . 0.0 107.973 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 23' ' ' ASP . 86.6 tt0 -118.83 153.35 34.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.71 -19.49 0.11 Allowed Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' B' ' 21' ' ' GLU . 94.3 m-20 -90.03 86.59 6.62 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.797 -1.414 . . . . 0.0 109.949 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 0.4 OUTLIER -87.68 150.41 23.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.254 -0.904 . . . . 0.0 109.819 179.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.441 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 17.2 t60 75.99 32.83 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.711 0.767 . . . . 0.0 109.137 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.442 ' C ' HD22 ' B' ' 27' ' ' LEU . 29.9 tttm -151.16 111.54 4.17 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.539 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.5 mm? -98.8 114.99 27.8 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.02 -1.05 . . . . 0.0 109.534 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.471 ' NZ ' ' HZ2' ' B' ' 29' ' ' LYS . 58.7 tttm -95.14 166.09 12.09 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HZ2' ' NZ ' ' B' ' 28' ' ' LYS . 24.1 pttm -59.87 -39.93 86.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.923 -1.111 . . . . 0.0 109.826 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -65.16 -38.17 89.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.991 -1.068 . . . . 0.0 108.313 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.99 -31.69 70.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.7 tp -70.7 -40.32 72.95 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.497 0.665 . . . . 0.0 109.385 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.52 -40.56 97.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 109.157 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.99 -41.96 85.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.279 -0.888 . . . . 0.0 108.84 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.486 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 56.3 tp -59.98 -48.58 81.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.444 -0.785 . . . . 0.0 109.583 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.25 -46.78 95.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.096 -1.002 . . . . 0.0 110.263 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.82 -43.63 97.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.049 -1.032 . . . . 0.0 110.765 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -86.71 -27.39 23.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.165 -0.959 . . . . 0.0 111.502 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -86.83 -74.8 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.875 -1.141 . . . . 0.0 110.361 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.0 121.62 41.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -125.14 -56.06 1.55 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -72.31 -20.03 61.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.435 -0.791 . . . . 0.0 109.461 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -101.31 0.6 37.49 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.399 -0.813 . . . . 0.0 110.0 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.556 HD13 ' H ' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -139.88 140.42 36.49 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.556 ' H ' HD13 ' B' ' 44' ' ' LEU . 20.2 pt-20 -76.47 147.88 37.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 108.752 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -73.72 138.35 44.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.189 -0.945 . . . . 0.0 109.208 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -111.81 119.89 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.99 -20.6 17.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 54.3 mp0 -101.07 128.79 46.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.039 -1.038 . . . . 0.0 110.218 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.93 -32.36 71.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.548 -0.72 . . . . 0.0 110.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.71 -29.53 66.73 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.101 -0.999 . . . . 0.0 109.264 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.7 t -70.02 -36.75 70.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.96 -40.18 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -61.06 -39.98 91.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.845 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.15 -42.62 95.29 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.3 -40.72 84.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.78 -41.11 96.1 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.657 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.77 -46.33 90.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -65.96 -39.56 90.52 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -73.54 -40.67 63.81 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -79.44 49.7 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.794 -1.191 . . . . 0.0 110.744 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.96 -38.35 82.22 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 20.3 p-10 -60.0 -33.03 71.42 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.377 0.608 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.454 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 96.76 83.79 1.69 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' B' ' 67' ' ' GLU . 98.7 m-20 -142.64 -28.88 0.58 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.769 -0.842 . . . . 0.0 110.53 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.65 10.41 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -133.6 161.6 34.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.0 t -109.33 109.44 20.33 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.746 -1.221 . . . . 0.0 109.38 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -77.14 -177.67 4.64 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 122.304 1.049 . . . . 0.0 111.444 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.49 -41.79 94.97 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.636 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.83 -57.42 12.98 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.9 mt-10 -60.38 -40.02 89.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.988 -1.07 . . . . 0.0 109.355 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.548 ' O ' HG23 ' B' ' 77' ' ' VAL . 64.4 t80 -46.99 -40.77 15.13 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.0 -31.81 69.68 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.47 -0.769 . . . . 0.0 109.252 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -63.71 -59.78 4.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.965 -1.084 . . . . 0.0 109.496 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.87 -39.92 66.12 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 73' ' ' PHE . 53.3 t -60.84 -44.62 98.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.407 ' O ' ' N ' ' B' ' 81' ' ' THR . 83.1 p -67.52 -43.79 79.95 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.354 -0.841 . . . . 0.0 109.797 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.8 ttt -52.87 -42.39 65.2 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 108.852 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.24 -30.14 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 78' ' ' SER . 20.4 m -80.23 -44.55 19.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.402 ' N ' ' O ' ' B' ' 78' ' ' SER . 18.0 m -70.54 -15.9 62.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.616 -0.677 . . . . 0.0 109.793 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.45 68.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.088 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.0 t -90.09 69.88 7.31 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -60.38 -40.49 91.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.191 -0.943 . . . . 0.0 109.401 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -82.4 136.83 34.88 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.485 -0.759 . . . . 0.0 109.064 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -69.94 147.78 49.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.093 -1.005 . . . . 0.0 108.781 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.488 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 51.5 p90 -60.8 126.09 26.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.976 -1.077 . . . . 0.0 109.167 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -113.45 -2.0 14.03 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -130.88 140.66 50.24 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.257 -0.902 . . . . 0.0 109.199 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.068 -0.967 . . . . 0.0 108.763 179.689 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.307 0.575 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.29 -32.67 74.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.91 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.94 -36.26 75.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.265 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.91 -40.4 97.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.95 -38.51 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.825 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.15 -0.968 . . . . 0.0 109.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 93.8 mtp -66.18 -48.65 70.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.86 -37.44 71.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.646 -0.659 . . . . 0.0 109.323 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.96 -41.01 90.98 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.97 -1.081 . . . . 0.0 109.284 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.12 -46.38 89.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.155 -0.966 . . . . 0.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.01 -49.81 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.902 -1.124 . . . . 0.0 109.344 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.8 -40.04 86.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 9' ' ' ALA . 54.4 t -69.93 -40.35 78.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.821 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.29 -56.59 15.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.596 -1.315 . . . . 0.0 111.025 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.132 -0.98 . . . . 0.0 111.57 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -67.54 -39.98 85.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.19 -1.569 . . . . 0.0 109.69 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -76.42 -44.21 36.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.172 -0.955 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -73.22 -20.09 60.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.584 -1.322 . . . . 0.0 109.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.81 19.02 23.06 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.7 -44.74 18.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.925 -1.338 . . . . 0.0 109.04 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 15.5 tm-20 -169.33 152.78 5.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.162 -0.961 . . . . 0.0 109.302 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 86.72 90.33 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 48.85 -140.29 0.71 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -1.131 . . . . 0.0 108.976 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -131.17 -39.0 1.2 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.254 -0.904 . . . . 0.0 110.266 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -113.54 12.51 18.6 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.298 -0.876 . . . . 0.0 110.944 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -105.84 121.44 44.07 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 108.942 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.26 124.57 42.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.294 -0.879 . . . . 0.0 109.852 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -90.66 162.58 14.88 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -55.96 -39.01 71.14 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -60.1 -36.47 77.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.095 -1.003 . . . . 0.0 109.202 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.71 -31.24 71.05 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.418 -0.801 . . . . 0.0 109.189 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 32' ' ' LEU . 83.6 mt -70.03 -39.59 75.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.483 -0.761 . . . . 0.0 109.63 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.61 -43.99 97.43 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.317 -0.864 . . . . 0.0 110.532 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.04 -44.48 69.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.985 -1.072 . . . . 0.0 109.943 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.488 HD11 ' OE2' ' A' ' 39' ' ' GLU . 36.3 tp -60.03 -49.68 76.71 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.42 -0.8 . . . . 0.0 108.966 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 40' ' ' LEU . 83.2 mt -60.04 -48.92 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.588 -0.695 . . . . 0.0 110.357 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -60.63 -40.02 90.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 110.595 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.29 -42.39 45.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.089 -1.007 . . . . 0.0 110.27 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.488 ' OE2' HD11 ' A' ' 35' ' ' LEU . 98.9 mt-10 -88.45 -75.15 0.43 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.367 -0.833 . . . . 0.0 110.994 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 mt -92.43 102.72 15.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.071 -1.018 . . . . 0.0 110.333 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p -140.48 -49.57 0.45 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -83.36 0.88 44.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.43 -16.19 11.98 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.1 tp -133.59 154.99 50.45 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.09 140.55 56.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.282 -0.887 . . . . 0.0 109.089 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.18 148.8 51.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 109.83 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 mm -72.04 128.02 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 108.941 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -94.64 -72.23 0.63 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.262 -0.899 . . . . 0.0 110.332 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -109.99 152.59 25.7 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.403 -0.811 . . . . 0.0 110.205 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.0 tt0 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.398 -0.814 . . . . 0.0 109.054 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.25 -36.54 9.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.17 -0.956 . . . . 0.0 109.597 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.56 -34.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' GLN . 62.5 t -70.83 -41.61 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.613 -0.68 . . . . 0.0 109.534 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.08 -40.24 88.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.269 -0.894 . . . . 0.0 109.539 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.27 -49.4 77.22 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.27 -40.93 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tpt -63.04 -45.37 92.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.274 -0.891 . . . . 0.0 108.887 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.13 -49.28 78.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.408 -0.807 . . . . 0.0 109.137 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -68.94 -39.99 79.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.537 -0.727 . . . . 0.0 109.52 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.8 -40.03 76.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.333 -0.854 . . . . 0.0 109.552 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 49.2 t0 -66.43 102.48 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.185 -0.947 . . . . 0.0 109.599 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.92 -40.86 98.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.378 -0.826 . . . . 0.0 110.641 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 17.3 p-10 -98.19 -2.74 39.1 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.145 -0.972 . . . . 0.0 110.891 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.2 27.88 73.29 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.684 -1.246 . . . . 0.0 110.101 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 35.6 p-10 -73.38 -5.41 39.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.128 -1.219 . . . . 0.0 110.362 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.8 76.75 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' A' ' 68' ' ' CYS . 15.7 tm-20 -157.48 158.36 35.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 67' ' ' GLU . 79.2 m -113.95 104.47 12.19 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.928 -1.107 . . . . 0.0 109.397 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 12.9 t70 -71.78 175.64 5.57 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 122.224 1.011 . . . . 0.0 111.324 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.465 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.5 t80 -60.97 -45.64 93.97 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.684 0.754 . . . . 0.0 109.129 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.573 HE22 ' CG2' ' B' ' 82' ' ' THR . 90.4 mm-40 -59.93 -55.16 37.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 109.098 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.9 mt-10 -59.92 -42.05 93.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.76 -1.212 . . . . 0.0 108.602 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -46.8 -39.04 11.09 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 tpt -67.52 -32.3 73.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.2 -54.99 33.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -52.4 -39.94 61.52 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.63 -41.05 86.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.2 p -71.82 -48.05 48.98 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.532 -0.73 . . . . 0.0 110.307 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -50.79 -39.96 54.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.139 -0.976 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.85 -27.83 39.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.0 m -79.49 -47.33 15.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.653 ' CG2' HE22 ' B' ' 71' ' ' GLN . 40.2 p -69.94 -13.78 62.41 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.404 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.86 -47.17 31.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 108.956 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -77.74 140.34 39.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.533 -0.73 . . . . 0.0 109.339 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -73.72 131.5 41.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.245 -0.909 . . . . 0.0 109.471 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.27 -30.91 71.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.241 -0.912 . . . . 0.0 109.514 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 56.5 t80 -70.2 -2.46 13.26 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.9 t80 55.82 31.05 16.9 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 139.99 57.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.558 -0.714 . . . . 0.0 109.658 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -98.27 124.63 42.98 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.366 -0.834 . . . . 0.0 109.327 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 50.1 mp0 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.373 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.387 0.613 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.7 -32.25 73.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.332 -0.855 . . . . 0.0 109.836 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.03 -36.46 75.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.08 -1.012 . . . . 0.0 110.271 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.72 -40.69 97.98 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.251 -0.906 . . . . 0.0 109.585 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.72 -38.41 91.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 109.773 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.13 90.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.435 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -66.23 -48.49 70.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.406 -0.809 . . . . 0.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.4 t -60.08 -37.29 72.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.665 -0.647 . . . . 0.0 109.275 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.95 90.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.983 -1.073 . . . . 0.0 109.304 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.16 -46.49 89.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.202 -0.936 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -59.98 -49.97 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 120.918 -1.114 . . . . 0.0 109.232 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.53 -39.98 85.7 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.89 -40.23 78.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.393 -0.817 . . . . 0.0 109.821 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.54 -56.51 15.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.302 . . . . 0.0 111.005 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.05 -39.96 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.174 -0.954 . . . . 0.0 111.508 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -67.49 -40.0 85.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.189 -1.569 . . . . 0.0 109.747 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.29 -44.21 38.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.327 -0.858 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.6 p -73.41 -19.94 60.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.618 -1.301 . . . . 0.0 109.897 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.59 18.88 22.58 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -80.54 -44.65 18.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.882 -1.364 . . . . 0.0 109.216 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.485 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.5 tm-20 -169.46 152.87 4.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.317 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.485 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 86.56 90.34 0.96 Allowed Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 48.82 -140.09 0.72 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.195 -1.179 . . . . 0.0 109.038 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -131.31 -39.07 1.17 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.123 -0.986 . . . . 0.0 110.256 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -113.62 12.38 18.47 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.335 -0.853 . . . . 0.0 110.956 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -105.81 121.3 43.77 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.039 -1.038 . . . . 0.0 109.004 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.16 124.41 42.71 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.303 -0.873 . . . . 0.0 109.873 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -90.51 162.48 15.02 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -55.78 -39.22 70.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.004 -1.06 . . . . 0.0 109.23 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 97.1 p -60.04 -36.14 76.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.947 -1.096 . . . . 0.0 109.198 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.04 -31.19 70.68 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.327 -0.858 . . . . 0.0 109.112 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.97 -39.52 75.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.505 -0.747 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.9 -43.93 97.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 110.445 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -69.93 -44.53 69.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.065 -1.022 . . . . 0.0 110.005 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.494 HD11 ' OE2' ' B' ' 39' ' ' GLU . 37.9 tp -60.04 -49.51 77.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.344 -0.847 . . . . 0.0 109.092 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.432 ' O ' ' O ' ' B' ' 40' ' ' LEU . 84.9 mt -60.13 -49.02 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.266 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -60.66 -40.07 90.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.111 -0.993 . . . . 0.0 110.568 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -76.2 -42.23 46.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.494 ' OE2' HD11 ' B' ' 35' ' ' LEU . 98.9 mt-10 -88.74 -75.17 0.44 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.322 -0.861 . . . . 0.0 110.866 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.6 mt -92.5 102.72 15.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 110.302 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.5 p -140.5 -49.52 0.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -83.37 0.92 43.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.636 -0.665 . . . . 0.0 109.902 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.46 -16.08 11.97 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -133.63 154.87 50.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 109.289 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -59.98 140.37 56.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.341 -0.849 . . . . 0.0 109.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.02 148.56 51.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.312 -0.867 . . . . 0.0 109.898 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.81 128.0 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.908 . . . . 0.0 109.087 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.76 -72.0 0.64 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.277 -0.889 . . . . 0.0 110.266 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -109.97 152.55 25.73 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.437 -0.789 . . . . 0.0 110.297 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.1 tt0 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.381 -0.824 . . . . 0.0 108.962 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -47.22 -36.76 9.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.129 -0.982 . . . . 0.0 109.569 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.7 t -67.42 -34.34 68.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.131 -0.981 . . . . 0.0 108.37 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' GLN . 53.0 t -70.83 -41.59 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.687 -0.633 . . . . 0.0 109.543 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -59.99 -40.33 88.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.666 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.22 -49.55 76.69 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.05 -40.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 tpt -63.08 -45.5 91.83 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.295 -0.878 . . . . 0.0 108.818 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.97 -49.62 76.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.005 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.82 -39.91 79.76 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.602 -0.686 . . . . 0.0 109.54 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.67 -40.43 76.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.543 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 49.3 t0 -66.25 102.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.026 -1.046 . . . . 0.0 109.646 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.77 -40.96 98.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.4 -0.812 . . . . 0.0 110.672 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 17.2 p-10 -98.29 -2.51 39.33 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.045 -1.034 . . . . 0.0 110.911 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.96 27.73 73.06 Favored Glycine 0 N--CA 1.494 2.529 0 C-N-CA 119.689 -1.243 . . . . 0.0 110.224 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.531 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 35.1 p-10 -73.05 -5.65 40.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.157 -1.202 . . . . 0.0 110.244 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.14 24.6 75.34 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 68' ' ' CYS . 15.7 tm-20 -158.07 158.09 34.12 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 67' ' ' GLU . 82.0 m -113.63 104.52 12.32 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.856 -1.153 . . . . 0.0 109.403 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.0 t70 -72.05 175.66 5.75 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.977 0.894 . . . . 0.0 111.319 -178.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 62.3 t80 -60.71 -45.84 92.68 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.698 0.761 . . . . 0.0 109.198 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.653 HE22 ' CG2' ' A' ' 82' ' ' THR . 90.8 mm-40 -59.82 -55.1 38.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.296 -0.877 . . . . 0.0 109.211 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -60.08 -41.96 93.58 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.843 -1.16 . . . . 0.0 108.523 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -46.89 -39.04 11.39 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.3 tpt -67.5 -32.22 72.9 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.34 -54.96 32.94 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -52.2 -39.98 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -41.19 87.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.472 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.3 p -71.79 -47.98 49.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.467 -0.771 . . . . 0.0 110.221 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.5 ttt -50.74 -40.05 53.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 109.069 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.78 -27.75 39.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.472 ' N ' ' O ' ' B' ' 78' ' ' SER . 22.0 m -79.52 -47.55 15.37 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.573 ' CG2' HE22 ' A' ' 71' ' ' GLN . 41.5 p -69.85 -13.68 62.38 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.519 -0.738 . . . . 0.0 109.452 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.62 -47.45 32.1 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.284 -0.885 . . . . 0.0 108.911 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.4 t -77.63 140.15 39.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.616 -0.678 . . . . 0.0 109.416 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -73.53 131.68 42.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 0.0 109.442 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -65.64 -30.62 71.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.29 -0.881 . . . . 0.0 109.52 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' B' ' 87' ' ' PHE . 56.5 t80 -70.31 -2.57 13.9 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 25.9 t80 55.96 30.91 16.91 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.02 140.04 57.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.54 -0.725 . . . . 0.0 109.684 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -98.43 124.75 43.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.406 -0.809 . . . . 0.0 109.179 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 50.0 mp0 . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.383 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -36.73 77.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.979 . . . . 0.0 110.3 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.89 -35.82 77.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.797 -1.189 . . . . 0.0 110.075 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.23 -40.02 92.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.137 -0.977 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.0 -35.39 74.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.599 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.91 75.84 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.279 -0.888 . . . . 0.0 109.63 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.69 -41.34 83.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.034 -1.041 . . . . 0.0 109.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.01 -39.97 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.907 . . . . 0.0 109.484 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.1 85.37 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.116 -0.99 . . . . 0.0 109.668 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -60.04 -46.15 90.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.988 -1.07 . . . . 0.0 109.64 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.04 -51.4 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.917 -1.115 . . . . 0.0 109.675 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.5 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 83.2 m-20 -64.94 -41.8 95.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.173 -0.955 . . . . 0.0 109.646 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.9 t -69.94 -43.83 79.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.257 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.31 -54.36 46.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 110.765 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.93 -41.46 91.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.957 . . . . 0.0 112.154 -176.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.502 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 1.1 mp0 -69.83 -40.36 75.92 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.039 -1.663 . . . . 0.0 109.661 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -72.81 -44.32 61.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.2 -0.938 . . . . 0.0 109.839 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.7 t -71.39 -22.74 61.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.017 -1.052 . . . . 0.0 110.739 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.06 20.32 33.69 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -70.41 -39.56 74.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.978 -1.307 . . . . 0.0 109.327 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.9 tt0 -165.62 160.94 18.0 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.09 175.62 40.83 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 89.0 m-20 -49.94 -99.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.993 . . . . 0.0 109.83 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 87.9 tttt -173.15 127.55 0.45 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.178 -0.952 . . . . 0.0 109.912 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.9 t-80 84.39 0.38 0.91 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 122.038 -0.414 . . . . 0.0 110.157 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -110.1 119.48 39.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.33 -0.856 . . . . 0.0 109.314 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.9 mp -96.27 120.88 37.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.999 -1.063 . . . . 0.0 109.472 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -91.64 162.0 14.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.494 0.664 . . . . 0.0 110.152 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HZ1' ' N ' ' A' ' 54' ' ' ASP . 38.0 tttp -52.21 -47.61 65.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.541 -0.725 . . . . 0.0 109.636 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.186 -0.946 . . . . 0.0 109.791 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.4 mt-10 -69.69 -39.74 76.78 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.922 0.868 . . . . 0.0 108.74 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.97 -48.92 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.366 0.603 . . . . 0.0 109.815 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.29 -40.07 89.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.339 -0.851 . . . . 0.0 110.602 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.0 -45.6 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD11 ' OE1' ' A' ' 39' ' ' GLU . 59.2 tp -60.02 -49.51 77.39 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.321 -0.862 . . . . 0.0 110.374 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -47.12 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.419 -0.801 . . . . 0.0 110.206 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -75.06 -23.46 58.07 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.341 -0.85 . . . . 0.0 110.769 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -91.39 -0.46 57.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.849 -1.157 . . . . 0.0 111.615 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.9 mt-10 -147.04 -41.74 0.18 Allowed 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.593 -1.317 . . . . 0.0 111.169 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -90.18 0.8 57.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.013 -1.055 . . . . 0.0 110.714 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.3 t -60.02 -39.45 85.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.873 -1.142 . . . . 0.0 108.851 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -67.56 -21.61 65.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.406 -0.809 . . . . 0.0 110.317 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -103.19 -18.27 14.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.085 -1.009 . . . . 0.0 109.11 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -138.84 135.16 34.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.394 -0.816 . . . . 0.0 109.64 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.39 86.65 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 54.0 tt0 -171.7 -130.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.355 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.2 mt 39.96 59.83 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 109.272 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -93.96 -5.78 46.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.351 -0.843 . . . . 0.0 110.202 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.04 136.47 54.55 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.352 -0.842 . . . . 0.0 110.049 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.46 -40.05 89.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.476 -0.765 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -53.71 -29.52 39.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 109.783 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.45 -37.49 77.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.205 -0.934 . . . . 0.0 108.922 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.33 -41.25 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.565 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 61.5 t0 -59.96 -43.58 94.96 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.933 . . . . 0.0 110.372 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.24 -40.78 95.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 108.976 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.88 -40.97 86.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.71 -0.619 . . . . 0.0 109.864 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 35.1 ttm -60.01 -49.52 77.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.03 -42.08 93.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.171 -0.956 . . . . 0.0 110.278 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.342 -0.848 . . . . 0.0 109.93 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.49 -39.95 70.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.51 -0.744 . . . . 0.0 110.596 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.92 102.2 2.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.98 -1.075 . . . . 0.0 110.518 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.11 -40.74 94.92 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.428 -0.795 . . . . 0.0 109.218 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -87.88 -14.04 40.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 110.485 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.95 30.02 70.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -74.27 -2.8 26.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -1.212 . . . . 0.0 110.119 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 5.06 89.62 Favored Glycine 0 N--CA 1.492 2.368 0 C-N-CA 119.803 -1.189 . . . . 0.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -140.1 159.99 40.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.075 -1.25 . . . . 0.0 108.158 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.7 t -102.06 106.46 17.35 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.932 -1.105 . . . . 0.0 109.299 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -73.32 178.95 4.2 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.885 0.85 . . . . 0.0 110.821 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 56.9 t80 -61.2 -49.2 78.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.574 0.702 . . . . 0.0 109.691 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.48 -54.05 50.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.057 -1.027 . . . . 0.0 108.885 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.3 mt-10 -59.99 -42.94 95.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.936 -1.103 . . . . 0.0 108.708 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -50.18 -39.96 45.43 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 tpt -68.66 -32.23 71.92 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' SER . . . -64.24 -57.87 8.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 108.838 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.84 -35.48 10.32 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.96 -41.65 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 75' ' ' ALA . 52.5 p -73.2 -48.65 33.31 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' SER . 46.6 ttm -43.73 -40.04 4.04 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 81' ' ' THR . 26.5 t -55.67 -84.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.431 ' N ' HG12 ' A' ' 80' ' ' VAL . 78.9 p -42.18 -52.77 4.27 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.747 -1.221 . . . . 0.0 113.066 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.4 p -60.03 -31.99 70.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.223 -1.548 . . . . 0.0 110.399 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.45 -35.88 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.118 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 93.1 m -88.11 130.56 34.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.611 -0.681 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -80.52 152.35 28.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.908 . . . . 0.0 109.141 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.16 141.38 58.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.08 -1.013 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 46.8 t80 -166.67 5.89 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.435 -0.791 . . . . 0.0 109.74 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' A' ' 87' ' ' PHE . 33.9 t80 49.08 -178.02 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 0.0 109.832 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 78.7 mm-40 -90.3 146.6 24.09 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.16 -0.962 . . . . 0.0 109.437 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -139.76 148.91 42.92 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.205 -0.934 . . . . 0.0 109.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.282 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.02 -36.76 77.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.128 -0.982 . . . . 0.0 110.48 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.13 -35.56 76.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.775 -1.203 . . . . 0.0 109.909 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.27 -40.02 92.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.092 -1.005 . . . . 0.0 109.08 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.03 -35.07 74.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.719 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.331 -0.856 . . . . 0.0 109.69 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.94 -41.36 82.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.092 -1.005 . . . . 0.0 110.12 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.93 -40.08 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.315 -0.865 . . . . 0.0 109.477 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.17 85.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.071 -1.018 . . . . 0.0 109.607 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.09 -46.09 90.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.966 -1.084 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.04 -51.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.659 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.513 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 83.2 m-20 -64.99 -41.79 95.1 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 0.0 109.66 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.0 t -70.02 -43.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -60.37 -54.25 47.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.955 -1.09 . . . . 0.0 110.724 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.01 -41.23 91.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.113 -0.992 . . . . 0.0 112.239 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.1 mp0 -70.02 -40.19 75.36 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.068 -1.645 . . . . 0.0 109.742 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -72.97 -44.09 61.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 109.833 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.9 t -71.43 -22.92 61.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.22 20.43 33.6 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -70.52 -39.27 74.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.324 . . . . 0.0 109.35 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.46 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 87.9 tt0 -165.58 160.77 17.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 109.389 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 92.95 175.82 41.03 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' B' ' 22' ' ' GLY . 88.9 m-20 -50.03 -99.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.466 -1.02 . . . . 0.0 109.824 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 85.8 tttt -173.5 127.65 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.889 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.528 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.9 t-80 84.3 0.49 0.93 Allowed 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 120.979 0.419 . . . . 0.0 110.176 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -110.17 119.27 38.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.331 -0.856 . . . . 0.0 109.314 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.499 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.9 mp -96.31 120.73 37.14 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.929 -1.107 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -91.69 162.24 14.57 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.512 0.672 . . . . 0.0 110.301 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.571 ' HZ1' ' N ' ' B' ' 54' ' ' ASP . 39.2 tttp -52.16 -47.85 65.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 109.513 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.171 -0.956 . . . . 0.0 109.684 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.46 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 98.9 mt-10 -69.55 -39.85 77.18 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.932 0.872 . . . . 0.0 108.683 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.99 -48.83 80.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.366 0.603 . . . . 0.0 109.906 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.34 -40.23 89.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.338 -0.851 . . . . 0.0 110.444 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.04 -45.67 92.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.96 -49.52 77.35 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.43 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.02 -47.05 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.855 . . . . 0.0 110.328 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -75.14 -23.61 57.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.177 -0.952 . . . . 0.0 110.733 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -91.21 -0.58 57.72 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.856 -1.153 . . . . 0.0 111.673 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -146.99 -41.82 0.18 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.533 -1.354 . . . . 0.0 111.131 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.555 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.2 mp -90.06 0.85 56.91 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.003 -1.061 . . . . 0.0 110.721 -178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -60.12 -39.41 86.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.839 -1.163 . . . . 0.0 108.846 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.73 -21.44 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -103.24 -18.06 15.06 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.093 -1.005 . . . . 0.0 109.172 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -139.24 135.29 33.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.404 -0.81 . . . . 0.0 109.549 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -128.27 86.68 2.49 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 47' ' ' ILE . 54.0 tt0 -171.75 -130.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.44 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' B' ' 46' ' ' GLU . 40.1 mt 39.95 59.67 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.575 -0.703 . . . . 0.0 109.305 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -93.95 -5.54 47.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.23 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -120.0 136.35 54.58 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.397 -0.815 . . . . 0.0 109.991 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.45 -39.94 89.34 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.452 -0.78 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -53.74 -29.41 39.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.086 -1.009 . . . . 0.0 109.861 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.52 -37.53 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 108.941 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.491 HG12 ' HZ2' ' B' ' 29' ' ' LYS . 94.7 t -70.5 -40.84 77.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.571 ' N ' ' HZ1' ' B' ' 29' ' ' LYS . 62.3 t0 -60.01 -43.96 94.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.16 -40.93 95.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 108.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.91 -40.74 86.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.662 -0.649 . . . . 0.0 109.896 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.96 -49.67 76.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.85 -1.156 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.96 -42.07 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.16 -0.962 . . . . 0.0 110.296 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.06 -39.95 75.37 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.95 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.19 -41.22 70.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.433 -0.792 . . . . 0.0 110.402 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.49 102.14 1.74 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.766 -1.209 . . . . 0.0 110.654 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.18 -40.65 94.72 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.384 -0.822 . . . . 0.0 109.24 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -87.91 -14.14 40.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.321 -0.862 . . . . 0.0 110.511 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.05 70.2 Favored Glycine 0 N--CA 1.495 2.573 0 C-N-CA 119.811 -1.185 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 p-10 -74.39 -2.78 26.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.115 -1.227 . . . . 0.0 110.172 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.92 5.03 89.68 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.213 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -140.22 159.96 41.02 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.235 . . . . 0.0 108.26 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.89 106.42 17.38 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.887 -1.133 . . . . 0.0 109.341 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.1 t70 -73.08 179.07 3.97 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.891 0.853 . . . . 0.0 110.892 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 56.9 t80 -61.55 -48.9 78.89 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.632 0.73 . . . . 0.0 109.656 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -56.55 -54.1 49.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.035 -1.041 . . . . 0.0 108.886 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 75' ' ' ALA . 96.4 mt-10 -60.02 -43.07 95.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.953 -1.092 . . . . 0.0 108.608 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -49.95 -40.05 42.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.3 tpt -68.67 -31.98 71.47 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.65 -57.57 8.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.148 -0.97 . . . . 0.0 108.871 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -47.86 -35.41 10.31 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.99 -41.83 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 75' ' ' ALA . 52.5 p -73.06 -48.67 33.94 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.401 ' N ' ' O ' ' B' ' 75' ' ' ALA . 48.1 ttm -43.77 -40.0 4.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.433 HG12 ' N ' ' B' ' 81' ' ' THR . 36.8 t -55.71 -84.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.433 ' N ' HG12 ' B' ' 80' ' ' VAL . 75.9 p -42.06 -52.81 4.14 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.719 -1.238 . . . . 0.0 113.007 -177.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 80.6 p -60.14 -32.1 70.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.237 -1.54 . . . . 0.0 110.35 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.93 68.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.108 -0.995 . . . . 0.0 109.108 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m -88.0 130.49 34.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.722 . . . . 0.0 109.522 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.4 p-80 -80.64 152.17 28.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.234 -0.916 . . . . 0.0 109.166 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.03 141.29 58.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.117 -0.989 . . . . 0.0 109.354 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 46.9 t80 -166.56 5.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.351 -0.843 . . . . 0.0 109.738 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 87' ' ' PHE . 32.4 t80 49.4 -177.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.759 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' B' ' 88' ' ' PHE . 78.6 mm-40 -90.7 146.61 23.87 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.175 -0.953 . . . . 0.0 109.372 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -140.01 148.83 42.41 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.325 -0.859 . . . . 0.0 109.528 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.404 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.273 0.559 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.01 -33.59 72.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -72.03 -32.73 67.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.958 . . . . 0.0 109.311 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.96 -46.12 92.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.98 -40.02 96.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.418 -0.801 . . . . 0.0 109.857 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.28 89.97 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.143 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.1 ttm -61.68 -49.47 76.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.94 . . . . 0.0 109.736 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -39.98 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.28 90.7 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.964 -1.085 . . . . 0.0 108.206 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -59.96 -50.88 72.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.717 . . . . 0.0 110.126 -178.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.07 -49.91 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.925 -1.109 . . . . 0.0 109.489 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -57.4 -40.03 77.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.432 -0.792 . . . . 0.0 109.044 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.371 -0.831 . . . . 0.0 110.331 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -62.14 -58.31 8.26 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.889 -1.132 . . . . 0.0 111.177 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -59.95 -40.79 90.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.827 -1.171 . . . . 0.0 111.942 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.39 -40.02 95.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.295 -1.503 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -72.08 -46.56 56.31 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.543 -0.723 . . . . 0.0 109.736 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.0 p -72.93 -19.57 61.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 110.137 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.41 15.88 55.07 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -78.27 -44.14 26.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.054 -1.263 . . . . 0.0 109.26 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -151.09 130.93 13.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 109.237 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.52 -179.91 36.19 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.68 149.88 38.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -1.124 . . . . 0.0 110.151 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 61.7 mttm -70.06 146.49 50.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 109.514 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER 81.23 21.83 0.35 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.614 0.721 . . . . 0.0 109.332 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -151.06 107.86 3.54 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.0 mp -96.51 120.38 36.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.107 -0.996 . . . . 0.0 109.861 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 14.3 ttmm -92.43 166.83 12.36 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.431 -0.793 . . . . 0.0 109.593 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -52.41 -42.76 64.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.808 -1.182 . . . . 0.0 109.325 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -59.97 -39.68 86.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.282 -0.886 . . . . 0.0 108.979 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 28' ' ' LYS . 45.1 mt-10 -68.05 -39.04 83.1 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.95 -45.63 92.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.575 -0.703 . . . . 0.0 109.493 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.945 -1.097 . . . . 0.0 109.468 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.19 -43.51 98.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -59.43 -48.59 81.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.423 -0.798 . . . . 0.0 109.435 -178.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.9 -40.22 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.917 -1.114 . . . . 0.0 110.24 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -75.36 -20.79 58.8 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.32 -0.862 . . . . 0.0 111.693 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -60.65 -61.71 2.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.793 -1.192 . . . . 0.0 111.891 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -145.42 -14.49 0.5 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.62 -1.3 . . . . 0.0 110.443 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -82.12 111.41 18.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.687 -1.258 . . . . 0.0 109.086 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 t -156.05 -35.32 0.09 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -64.93 -37.37 87.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.528 -0.733 . . . . 0.0 109.293 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' C ' HD22 ' A' ' 44' ' ' LEU . 96.8 m-85 -98.98 -2.76 36.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.329 -0.857 . . . . 0.0 109.787 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.7 mm? -113.66 140.72 47.99 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.389 -0.82 . . . . 0.0 109.31 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -72.72 149.83 43.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.114 -0.991 . . . . 0.0 108.596 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.63 138.59 58.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.111 -0.993 . . . . 0.0 109.63 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 94.3 mt -107.39 120.11 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.01 10.45 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.344 -0.847 . . . . 0.0 109.685 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -120.9 137.62 54.5 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.506 -0.746 . . . . 0.0 109.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' A' ' 53' ' ' VAL . 7.2 tt0 -61.04 -34.25 74.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.125 -0.984 . . . . 0.0 108.797 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLN . 98.1 mt-10 -45.74 -29.94 1.45 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.37 -0.831 . . . . 0.0 108.852 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.71 -34.33 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 50' ' ' GLN . 54.6 t -65.07 -45.1 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.97 91.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -0.853 . . . . 0.0 109.886 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.06 -47.95 83.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.028 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.27 -41.05 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.518 -0.739 . . . . 0.0 109.661 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' ASP . 78.3 mtp -68.44 -39.97 81.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.09 -1.006 . . . . 0.0 109.953 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.14 -50.01 75.4 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.141 -0.975 . . . . 0.0 109.304 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.55 -40.01 77.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.463 -0.773 . . . . 0.0 109.615 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 tp -70.13 -40.01 75.1 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.525 -0.734 . . . . 0.0 109.244 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 56.1 t0 -74.7 70.39 1.85 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 110.832 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -70.57 -32.9 70.47 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 6.8 p-10 -60.0 -39.9 87.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.795 -0.566 . . . . 0.0 110.826 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 88.87 89.23 1.18 Allowed Glycine 0 N--CA 1.486 2.021 0 N-CA-C 107.739 -2.144 . . . . 0.0 107.739 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 67' ' ' GLU . 18.5 p-10 -160.82 -16.59 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.637 -0.919 . . . . 0.0 111.064 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 80.36 0.07 85.84 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' A' ' 65' ' ' ASP . 98.6 mt-10 -140.48 166.37 24.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.55 -0.971 . . . . 0.0 108.808 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.6 m -103.82 102.89 12.7 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.982 -1.073 . . . . 0.0 108.915 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -70.55 177.11 3.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 110.582 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.45 -50.16 74.7 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.494 0.664 . . . . 0.0 110.158 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -60.01 -51.5 69.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 109.218 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 75' ' ' ALA . 86.5 tt0 -60.02 -43.61 95.14 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.464 -1.397 . . . . 0.0 107.818 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.6 -39.97 18.2 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.07 -29.72 71.04 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.149 -0.97 . . . . 0.0 108.734 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.16 -55.32 22.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -56.29 -40.44 74.29 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.13 -45.13 99.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.8 p -68.81 -44.26 73.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 110.088 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' ALA . 59.7 mmm -57.55 -40.02 77.97 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.0 -28.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.5 m -83.97 -45.2 13.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -72.97 -18.05 61.41 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.26 0.553 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -84.42 -47.46 10.64 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p -69.41 132.33 46.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.145 -0.972 . . . . 0.0 110.46 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.45 146.62 30.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.509 -0.744 . . . . 0.0 109.124 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -60.48 134.31 56.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.165 -0.959 . . . . 0.0 110.288 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -94.24 -1.71 53.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.471 -0.768 . . . . 0.0 109.199 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -86.82 21.98 2.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.163 -0.961 . . . . 0.0 109.878 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.21 136.47 58.04 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 109.008 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -155.7 160.01 40.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.22 -0.925 . . . . 0.0 109.787 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.605 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.362 0.601 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.08 -33.52 72.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 0.0 109.635 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.556 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -72.06 -32.84 67.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.162 -0.961 . . . . 0.0 109.368 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.75 -46.38 90.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.036 -1.04 . . . . 0.0 109.441 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.86 -40.05 96.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 109.833 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.28 89.9 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.111 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.5 ttm -61.84 -49.35 76.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.619 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.456 -0.777 . . . . 0.0 109.352 -178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.27 90.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.891 -1.131 . . . . 0.0 108.26 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -59.99 -50.85 72.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.447 -0.783 . . . . 0.0 110.212 -178.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.96 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.903 -1.123 . . . . 0.0 109.482 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -57.34 -40.01 77.11 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.488 -0.758 . . . . 0.0 109.038 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.91 -40.08 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 110.262 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.32 -58.13 8.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.861 -1.15 . . . . 0.0 111.228 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -60.03 -40.73 90.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.868 -1.145 . . . . 0.0 112.066 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.47 -40.02 94.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.319 -1.488 . . . . 0.0 109.975 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -71.94 -46.55 57.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.532 -0.73 . . . . 0.0 109.779 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.177 -0.952 . . . . 0.0 110.211 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.54 15.72 55.98 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -78.24 -44.17 26.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.257 . . . . 0.0 109.29 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -151.12 130.93 13.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.253 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.62 -179.85 36.02 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.86 149.74 37.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.306 -1.114 . . . . 0.0 110.101 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.607 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 61.3 mttm -70.0 146.57 50.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.485 -0.759 . . . . 0.0 109.47 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.607 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER 81.4 21.59 0.34 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.561 0.696 . . . . 0.0 109.301 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -150.78 107.56 3.54 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.568 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.0 mp -96.41 120.42 36.69 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.138 -0.976 . . . . 0.0 109.884 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 14.3 ttmm -92.47 166.91 12.3 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.563 -0.71 . . . . 0.0 109.58 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -52.6 -42.8 64.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.815 -1.178 . . . . 0.0 109.244 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.01 -39.56 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.881 . . . . 0.0 108.93 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' B' ' 28' ' ' LYS . 45.2 mt-10 -68.01 -39.21 83.21 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.508 HD13 ' O ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -61.64 -45.84 92.32 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 109.551 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.98 . . . . 0.0 109.492 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.21 -43.3 99.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.347 -0.846 . . . . 0.0 109.357 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -59.63 -48.51 81.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.425 -178.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.18 -39.96 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 110.262 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -75.32 -20.89 58.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -0.891 . . . . 0.0 111.643 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.63 -61.7 2.4 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.698 -1.251 . . . . 0.0 111.867 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -145.4 -14.44 0.5 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.75 -1.219 . . . . 0.0 110.474 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.518 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.4 mm? -82.39 111.8 18.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.845 -1.159 . . . . 0.0 109.058 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -156.29 -35.15 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -65.1 -37.29 87.03 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.598 -0.688 . . . . 0.0 109.257 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.475 ' C ' HD22 ' B' ' 44' ' ' LEU . 96.8 m-85 -99.11 -2.5 36.84 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.839 . . . . 0.0 109.688 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.475 HD22 ' C ' ' B' ' 43' ' ' PHE . 3.5 mm? -114.0 140.63 48.28 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.371 -0.831 . . . . 0.0 109.339 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.68 149.62 43.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 108.694 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.36 138.7 58.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.116 -0.99 . . . . 0.0 109.658 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -107.48 120.19 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -104.22 -30.0 10.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.336 -0.853 . . . . 0.0 109.671 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -120.85 137.53 54.52 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.513 -0.742 . . . . 0.0 109.85 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' B' ' 53' ' ' VAL . 7.3 tt0 -61.02 -34.11 74.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.114 -0.991 . . . . 0.0 108.813 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -45.85 -30.05 1.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.36 -0.838 . . . . 0.0 108.863 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.52 -34.55 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.4 t -64.99 -44.71 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.78 . . . . 0.0 109.056 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.0 -41.01 91.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.315 -0.865 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.14 -48.26 82.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.027 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.02 -40.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 109.675 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.408 ' O ' ' N ' ' B' ' 61' ' ' ASP . 73.2 mtp -68.37 -40.03 81.57 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.149 -0.969 . . . . 0.0 110.042 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -50.01 75.4 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.238 -0.914 . . . . 0.0 109.226 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -69.61 -39.98 76.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.47 -0.769 . . . . 0.0 109.531 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.0 tp -70.03 -40.35 75.23 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.503 -0.748 . . . . 0.0 109.005 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' B' ' 57' ' ' MET . 56.1 t0 -74.59 70.39 1.8 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.321 -0.862 . . . . 0.0 110.968 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -70.24 -32.92 70.99 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 6.7 p-10 -59.97 -40.01 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.792 -0.567 . . . . 0.0 110.845 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 89.02 89.24 1.2 Allowed Glycine 0 N--CA 1.486 2.022 0 N-CA-C 107.694 -2.162 . . . . 0.0 107.694 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' B' ' 67' ' ' GLU . 19.2 p-10 -160.85 -16.51 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.641 -0.917 . . . . 0.0 111.082 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 80.39 -0.08 85.6 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.481 ' H ' ' CG ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -140.23 166.38 24.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.643 -0.916 . . . . 0.0 108.859 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.5 m -103.94 103.08 12.88 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.921 -1.112 . . . . 0.0 108.837 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -70.44 177.24 3.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 110.63 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.62 -50.07 74.98 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.419 0.628 . . . . 0.0 110.07 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.95 -51.61 68.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.207 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ALA . 86.5 tt0 -59.93 -43.8 94.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.446 -1.409 . . . . 0.0 107.806 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -47.49 -39.92 17.16 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.11 -29.89 71.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 108.628 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.03 -55.43 22.34 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.78 -40.92 73.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.85 -45.38 98.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 79.3 p -68.68 -44.32 74.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.572 -0.705 . . . . 0.0 110.104 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.451 ' O ' ' N ' ' B' ' 83' ' ' ALA . 58.8 mmm -57.59 -40.12 78.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.586 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.02 -28.24 44.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -84.36 -44.67 13.54 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -73.54 -17.79 61.16 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.736 -0.603 . . . . 0.0 109.709 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -84.6 -47.26 10.72 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.226 -0.921 . . . . 0.0 109.98 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 22.2 p -69.16 132.44 46.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.259 -0.9 . . . . 0.0 110.549 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -81.53 146.72 30.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.533 -0.73 . . . . 0.0 109.109 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -60.8 134.29 56.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.078 -1.014 . . . . 0.0 110.169 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -94.12 -1.88 53.6 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.422 -0.799 . . . . 0.0 109.117 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -86.73 21.92 2.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.19 -0.944 . . . . 0.0 109.903 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.17 136.36 58.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.115 -0.99 . . . . 0.0 109.103 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -155.55 160.2 40.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.136 -0.977 . . . . 0.0 109.857 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.587 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -59.93 -30.07 68.81 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.221 -0.924 . . . . 0.0 109.61 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.83 -34.03 73.09 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.093 -1.004 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.4 -45.15 94.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 110.001 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.186 -0.946 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.73 76.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 108.969 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 78.4 mtp -62.04 -49.97 73.86 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.546 0.689 . . . . 0.0 109.143 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.09 -39.96 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.67 -0.644 . . . . 0.0 110.215 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.16 -39.98 73.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.063 -1.023 . . . . 0.0 109.482 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.52 -46.03 91.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.123 -0.986 . . . . 0.0 110.137 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.05 -51.36 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.936 -1.102 . . . . 0.0 109.68 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -59.9 -41.27 91.27 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 108.701 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.97 -43.52 79.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.377 -0.827 . . . . 0.0 109.982 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.47 -56.43 16.23 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.051 -1.031 . . . . 0.0 110.049 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -59.92 -43.59 94.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.939 -1.101 . . . . 0.0 111.398 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.02 -40.24 75.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.227 -1.546 . . . . 0.0 109.41 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.562 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 65.0 t80 -72.29 -40.39 67.6 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.578 0.704 . . . . 0.0 109.661 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 m -77.22 -19.93 55.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.326 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 19.81 36.11 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 120.964 -1.085 . . . . 0.0 110.434 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -82.67 -45.31 14.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.776 -1.426 . . . . 0.0 109.84 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -127.57 142.15 51.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.551 -0.718 . . . . 0.0 109.68 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.19 -123.83 28.69 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -134.93 157.91 45.65 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.444 -1.033 . . . . 0.0 109.583 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -68.08 168.57 11.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.405 -0.809 . . . . 0.0 109.065 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.0 t60 69.59 32.84 3.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.54 -0.725 . . . . 0.0 109.522 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -167.38 95.75 0.47 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.397 -0.815 . . . . 0.0 109.043 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.6 mm? -96.05 119.0 33.76 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.127 -0.983 . . . . 0.0 109.761 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -92.38 166.1 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.566 -0.709 . . . . 0.0 109.29 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.76 -39.86 82.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 109.721 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -64.09 -39.33 93.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.056 -1.028 . . . . 0.0 108.506 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.06 -34.37 73.12 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.803 -0.56 . . . . 0.0 109.742 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.04 -40.56 75.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.302 -0.874 . . . . 0.0 109.442 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.08 -40.06 88.25 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.842 0.83 . . . . 0.0 108.925 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.24 -46.09 90.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.746 -0.596 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.562 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 7.8 tt -59.98 -47.58 85.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.988 -1.07 . . . . 0.0 109.3 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -48.0 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 110.097 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -71.58 -20.07 62.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 111.056 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -57.47 -59.84 4.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.901 -1.124 . . . . 0.0 111.564 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -142.4 -10.21 0.84 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.725 -1.234 . . . . 0.0 111.1 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.81 130.53 35.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.682 -1.261 . . . . 0.0 108.797 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -163.58 -34.8 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.393 -0.817 . . . . 0.0 109.119 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.97 -18.03 62.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.412 -0.805 . . . . 0.0 110.07 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.424 ' C ' HD22 ' A' ' 44' ' ' LEU . 96.8 m-85 -103.29 -16.99 15.5 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.149 -0.97 . . . . 0.0 109.723 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.6 mm? -104.06 150.9 23.86 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 109.298 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -84.92 -76.5 0.31 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.356 -0.84 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -164.55 106.25 0.86 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.8 mt -99.35 104.21 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.078 -1.014 . . . . 0.0 109.092 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -112.73 -22.73 10.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.608 -0.683 . . . . 0.0 109.895 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -112.01 137.52 49.91 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.454 -0.779 . . . . 0.0 109.993 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -61.88 -30.11 70.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.324 -0.86 . . . . 0.0 109.595 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.36 -31.82 62.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.868 . . . . 0.0 109.585 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.88 -34.99 62.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 108.809 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.29 -42.22 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.633 -0.667 . . . . 0.0 109.458 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.23 88.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 0.0 109.844 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.75 -43.66 97.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 109.067 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.76 -40.07 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.578 -0.701 . . . . 0.0 109.503 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -41.68 95.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.724 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.15 -41.15 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.038 -1.038 . . . . 0.0 109.367 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 m -69.43 -40.48 77.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 110.023 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 76' ' ' PHE . 7.3 mp -73.03 -42.1 63.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.378 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 28.1 t0 -66.52 97.57 0.44 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 110.563 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -47.61 85.51 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.579 -0.7 . . . . 0.0 109.943 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.1 p-10 -92.45 -3.67 54.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.207 -0.933 . . . . 0.0 111.393 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.18 70.13 Favored Glycine 0 N--CA 1.496 2.684 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.436 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.546 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 33.6 p-10 -71.08 -6.96 43.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.796 -1.414 . . . . 0.0 110.432 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.466 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.15 -5.58 79.41 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 120.862 -1.149 . . . . 0.0 110.877 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -137.01 161.32 36.38 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -1.171 . . . . 0.0 108.117 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.75 106.61 17.17 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.87 -1.144 . . . . 0.0 108.916 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.33 174.75 3.76 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.878 0.846 . . . . 0.0 110.864 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.92 -50.83 72.21 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.354 0.597 . . . . 0.0 109.545 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -60.03 -53.55 56.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.41 -0.806 . . . . 0.0 109.2 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -59.97 -48.1 83.1 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -44.83 -39.84 5.66 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mtp -71.13 -22.12 62.11 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.383 -0.823 . . . . 0.0 109.909 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.45 -59.14 5.39 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.66 -1.275 . . . . 0.0 108.677 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.422 ' CD1' HD21 ' A' ' 60' ' ' LEU . 89.0 t80 -51.51 -39.86 58.47 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.15 -45.79 95.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -66.47 -44.83 81.66 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.311 -0.868 . . . . 0.0 110.207 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.1 ttt -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.199 -0.938 . . . . 0.0 109.611 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.41 -33.37 62.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -70.11 -41.2 74.32 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -64.59 -56.03 16.58 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' A' ' 85' ' ' HIS . . . -43.32 -37.82 2.4 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 0.0 109.654 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.7 t -78.64 40.31 0.37 Allowed 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.449 ' H ' ' C ' ' A' ' 83' ' ' ALA . 64.3 t60 -60.09 -39.99 88.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.774 -0.579 . . . . 0.0 110.138 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -49.78 132.91 22.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.15 -0.969 . . . . 0.0 109.469 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -73.98 130.85 40.67 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.416 -0.803 . . . . 0.0 109.619 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -59.91 134.45 57.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.359 -0.838 . . . . 0.0 109.405 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.23 -39.89 88.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.315 -0.866 . . . . 0.0 109.525 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 52.47 19.46 1.18 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.33 -0.856 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.618 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.01 -29.8 68.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.364 -0.835 . . . . 0.0 109.568 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -69.96 -34.0 72.83 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.21 -0.931 . . . . 0.0 109.678 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.41 -45.16 94.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.031 -1.043 . . . . 0.0 110.011 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -59.87 -40.13 87.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.17 -0.956 . . . . 0.0 110.027 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.976 . . . . 0.0 108.869 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 73.8 mtp -62.24 -49.89 73.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.575 -0.703 . . . . 0.0 109.22 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.11 -40.05 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.615 -0.678 . . . . 0.0 110.162 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.09 72.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.941 -1.099 . . . . 0.0 109.488 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.57 -46.04 91.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.069 -1.019 . . . . 0.0 110.187 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.01 -51.16 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.889 -1.132 . . . . 0.0 109.727 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -60.02 -41.36 92.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 108.657 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.09 -43.35 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -63.42 -56.6 14.88 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.987 -1.071 . . . . 0.0 110.096 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -59.84 -43.23 94.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.12 . . . . 0.0 111.406 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.02 -40.36 75.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.307 -1.496 . . . . 0.0 109.531 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 65.1 t80 -72.68 -40.03 66.59 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.542 0.686 . . . . 0.0 109.721 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.1 m -77.45 -19.67 55.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.441 -0.787 . . . . 0.0 110.333 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.09 19.62 37.68 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -82.62 -45.36 14.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.764 -1.433 . . . . 0.0 109.78 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -127.58 141.95 51.5 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.526 -0.734 . . . . 0.0 109.741 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.41 -123.82 28.27 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -135.28 157.88 45.78 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.482 -1.011 . . . . 0.0 109.479 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -68.02 168.64 11.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.083 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.4 t60 69.72 32.86 3.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.555 -0.716 . . . . 0.0 109.316 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -167.41 95.87 0.47 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 109.183 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.499 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.6 mm? -96.35 119.0 34.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -92.36 166.02 12.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.612 -0.68 . . . . 0.0 109.259 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.52 -40.1 81.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.775 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 95.7 p -63.82 -39.58 94.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.056 . . . . 0.0 108.582 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.92 -34.4 73.43 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.218 0.533 . . . . 0.0 109.738 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.96 -40.76 75.21 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.281 -0.887 . . . . 0.0 109.534 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.12 -39.98 88.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 108.932 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -60.06 -46.12 90.62 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.842 -0.536 . . . . 0.0 109.753 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.553 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 8.5 tt -59.96 -47.6 85.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.089 -1.007 . . . . 0.0 109.414 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -47.92 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.3 -0.875 . . . . 0.0 110.01 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.81 -20.01 61.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.761 . . . . 0.0 111.003 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -57.71 -59.61 4.95 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.901 -1.125 . . . . 0.0 111.478 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -142.52 -10.19 0.83 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.737 -1.227 . . . . 0.0 111.082 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.71 130.29 35.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.678 -1.264 . . . . 0.0 108.846 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.1 t -163.08 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.519 -0.738 . . . . 0.0 109.187 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -70.76 -18.08 62.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.51 -0.744 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.426 ' C ' HD22 ' B' ' 44' ' ' LEU . 96.7 m-85 -103.28 -17.06 15.48 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.096 -1.002 . . . . 0.0 109.695 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' B' ' 44' ' ' LEU . 3.4 mm? -104.2 150.66 24.18 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.505 -0.747 . . . . 0.0 109.384 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.39 -76.65 0.3 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.326 -0.858 . . . . 0.0 108.869 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -164.7 106.45 0.85 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.34 -0.85 . . . . 0.0 109.323 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 96.4 mt -99.49 104.59 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.144 -0.973 . . . . 0.0 109.137 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -113.1 -22.56 10.47 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.533 -0.729 . . . . 0.0 109.897 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -111.95 137.55 49.79 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.448 -0.782 . . . . 0.0 110.017 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -62.14 -29.99 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 109.602 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.31 -31.87 61.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.371 -0.831 . . . . 0.0 109.525 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.97 -35.04 62.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 108.774 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.4 -41.83 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 109.508 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.06 -40.11 88.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.81 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -60.67 -43.86 97.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.76 -40.0 87.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.581 -0.699 . . . . 0.0 109.565 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.6 -41.61 95.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.147 -0.97 . . . . 0.0 110.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.032 -1.042 . . . . 0.0 109.334 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 74.1 m -69.48 -40.42 77.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.28 -0.887 . . . . 0.0 110.049 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.409 HD21 ' CD1' ' B' ' 76' ' ' PHE . 8.1 mp -72.81 -42.88 63.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -0.88 . . . . 0.0 110.235 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 26.6 t0 -65.76 97.96 0.36 Allowed 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.901 -1.124 . . . . 0.0 110.705 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.48 -48.18 82.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.577 -0.702 . . . . 0.0 109.91 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.9 p-10 -91.99 -3.96 55.18 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.222 -0.923 . . . . 0.0 111.397 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.72 29.11 69.85 Favored Glycine 0 N--CA 1.497 2.757 0 C-N-CA 119.511 -1.328 . . . . 0.0 110.459 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.2 p-10 -70.98 -7.01 43.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.938 -1.331 . . . . 0.0 110.503 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.08 -5.24 80.64 Favored Glycine 0 N--CA 1.497 2.736 0 O-C-N 120.88 -1.137 . . . . 0.0 110.805 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -137.11 161.01 37.31 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.258 -1.142 . . . . 0.0 108.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 67.8 m -103.57 106.78 17.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.947 -1.096 . . . . 0.0 108.843 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -68.6 175.05 3.7 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.875 0.845 . . . . 0.0 110.829 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.02 -50.65 72.91 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.351 0.596 . . . . 0.0 109.539 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -53.66 55.17 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.308 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.8 mt-10 -60.03 -48.15 82.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.963 -1.086 . . . . 0.0 108.382 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -44.94 -39.24 5.31 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 83.5 mtp -71.58 -22.06 61.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.16 -59.7 4.66 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.736 -1.228 . . . . 0.0 108.657 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.409 ' CD1' HD21 ' B' ' 60' ' ' LEU . 88.9 t80 -51.2 -39.92 57.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.12 -45.79 95.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -66.43 -44.81 81.85 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.98 -42.43 94.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.288 -0.882 . . . . 0.0 109.54 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.59 -33.16 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -69.98 -41.29 74.62 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 8.7 m -64.77 -55.84 17.28 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.452 ' C ' ' H ' ' B' ' 85' ' ' HIS . . . -43.29 -37.91 2.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.639 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 t -78.3 40.05 0.34 Allowed 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.452 ' H ' ' C ' ' B' ' 83' ' ' ALA . 68.2 t60 -59.99 -39.91 87.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.763 -0.586 . . . . 0.0 110.146 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -49.92 133.05 22.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.119 -0.988 . . . . 0.0 109.552 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -74.02 130.78 40.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.387 -0.82 . . . . 0.0 109.589 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -59.89 134.36 56.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.289 -0.882 . . . . 0.0 109.366 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.19 -39.93 88.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.408 -0.808 . . . . 0.0 109.54 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 52.48 19.93 1.32 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.323 -0.861 . . . . 0.0 109.208 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.663 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -66.75 -30.5 70.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 110.041 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.09 -37.23 75.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.117 -0.989 . . . . 0.0 110.053 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.1 -41.35 97.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.25 -0.906 . . . . 0.0 109.89 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -60.1 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.813 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.96 71.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 0.0 109.488 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 52.8 ttm -59.93 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.326 -0.859 . . . . 0.0 109.429 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.03 -40.02 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.601 -0.687 . . . . 0.0 109.282 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.132 -0.98 . . . . 0.0 109.849 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.15 -44.19 95.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.137 -0.977 . . . . 0.0 111.16 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.09 -49.55 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.806 -1.183 . . . . 0.0 109.204 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.02 -39.9 87.46 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.91 -44.77 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.816 . . . . 0.0 110.141 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -60.33 -55.04 38.43 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.897 -1.127 . . . . 0.0 110.649 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.29 -39.99 84.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.183 -0.948 . . . . 0.0 111.178 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.78 -40.15 79.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.282 -1.511 . . . . 0.0 110.046 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -73.9 -44.0 56.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.248 -0.908 . . . . 0.0 110.383 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -69.67 -18.82 63.59 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.906 -1.122 . . . . 0.0 109.67 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.07 22.53 14.39 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -86.44 -60.36 2.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.228 -1.16 . . . . 0.0 109.366 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -139.64 160.89 38.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.398 -0.814 . . . . 0.0 109.738 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 93.77 170.89 38.82 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 7.1 t70 -49.94 -95.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.268 -1.136 . . . . 0.0 109.448 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 33.1 ttmt -165.95 123.97 1.5 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 109.767 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.1 t-80 79.32 1.12 2.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.783 -0.573 . . . . 0.0 110.139 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -108.19 125.43 51.62 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -95.62 119.2 33.71 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.887 -1.133 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -94.42 165.1 12.73 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.92 77.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.912 -1.117 . . . . 0.0 110.029 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.7 p -60.07 -39.9 87.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.987 -1.071 . . . . 0.0 108.958 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.28 -39.91 78.09 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.15 -43.93 98.12 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.24 -40.57 94.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.511 -0.743 . . . . 0.0 109.679 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.58 -44.68 81.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.135 -0.978 . . . . 0.0 110.212 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.507 HD11 ' OE1' ' A' ' 39' ' ' GLU . 59.0 tp -59.91 -49.04 79.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 0.0 109.965 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 40' ' ' LEU . 89.8 mt -60.38 -43.54 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.935 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.064 -1.023 . . . . 0.0 111.312 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.32 -13.54 52.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.969 -1.082 . . . . 0.0 112.637 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.507 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.8 mt-10 -128.09 -89.96 0.52 Allowed 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.92 -1.113 . . . . 0.0 112.253 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 36' ' ' ILE . 85.9 mt -75.16 129.29 37.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.077 -1.015 . . . . 0.0 111.059 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -150.04 -40.3 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -75.85 -18.6 59.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' C ' HD22 ' A' ' 44' ' ' LEU . 97.5 m-85 -99.25 -11.93 20.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.253 -0.905 . . . . 0.0 109.965 -178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.487 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.8 mm? -107.44 -108.94 0.31 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -176.9 143.58 0.43 Allowed 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -65.36 127.51 32.05 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.778 -1.201 . . . . 0.0 108.018 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -108.47 129.99 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.277 -0.889 . . . . 0.0 109.939 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -106.87 -26.2 11.34 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.633 -0.667 . . . . 0.0 109.521 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -110.59 132.96 53.74 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.444 -0.785 . . . . 0.0 110.397 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 53' ' ' VAL . 30.3 tt0 -64.65 -38.89 92.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.791 . . . . 0.0 109.356 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -45.39 -33.18 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.426 -0.797 . . . . 0.0 109.693 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.69 -32.41 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 108.747 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' GLN . 66.7 t -69.95 -42.72 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.623 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.03 -40.21 92.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.245 -0.909 . . . . 0.0 110.743 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -60.35 -45.3 93.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.031 -1.043 . . . . 0.0 108.624 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.65 -39.89 82.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-O 121.221 0.534 . . . . 0.0 110.145 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.9 mtp -67.48 -39.89 85.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.234 -0.916 . . . . 0.0 110.76 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.53 -43.69 84.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.033 -1.042 . . . . 0.0 108.974 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.0 -39.99 75.54 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.03 75.82 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.707 -0.62 . . . . 0.0 109.789 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.26 105.73 1.83 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.198 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 74.4 mm-40 -61.34 -39.96 92.49 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.443 -0.786 . . . . 0.0 109.465 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.83 -9.3 31.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.188 -0.945 . . . . 0.0 111.1 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.25 29.44 73.24 Favored Glycine 0 N--CA 1.492 2.407 0 C-N-CA 119.412 -1.375 . . . . 0.0 109.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -70.24 -3.94 19.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.06 -1.259 . . . . 0.0 109.546 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.37 52.37 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.4 mp0 -130.24 164.88 23.58 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.056 -1.261 . . . . 0.0 108.686 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.7 t -100.22 109.0 21.23 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.265 -0.897 . . . . 0.0 109.657 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 27.5 t0 -70.97 175.41 5.16 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.809 0.814 . . . . 0.0 110.583 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 44.2 t80 -62.97 -50.22 71.65 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.29 0.567 . . . . 0.0 110.678 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -60.13 -53.84 52.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 75' ' ' ALA . 39.8 mt-10 -59.96 -44.17 94.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.809 -1.182 . . . . 0.0 107.84 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -49.19 -39.95 31.39 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.68 -30.05 71.2 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -65.49 -51.53 59.39 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.58 -39.97 62.12 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -42.64 90.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 81' ' ' THR . 42.1 p -70.58 -46.31 63.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.442 -0.786 . . . . 0.0 110.157 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 25.4 ttt -51.81 -40.06 59.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.097 -1.002 . . . . 0.0 108.994 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.47 -27.63 39.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' SER . 24.2 m -79.96 -49.16 12.26 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.1 p -70.1 -14.32 62.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.533 -0.729 . . . . 0.0 109.368 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . -71.27 -45.42 63.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.335 -0.853 . . . . 0.0 109.341 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 87.3 m -79.21 151.53 31.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.0 109.125 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -69.93 150.07 47.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.371 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' OE1' ' CD2' ' B' ' 25' ' ' HIS . 86.3 tt0 -59.98 -40.2 88.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.221 -0.925 . . . . 0.0 109.452 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -87.0 130.64 34.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.346 -0.846 . . . . 0.0 109.412 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 63.4 t80 -140.02 -15.9 0.99 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.207 -0.933 . . . . 0.0 109.398 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -100.04 121.54 41.54 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.285 -0.884 . . . . 0.0 109.705 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -66.98 -40.07 87.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.955 . . . . 0.0 109.179 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.44 179.758 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.272 0.558 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.5 -30.12 69.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.112 -0.992 . . . . 0.0 110.025 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.3 tp -70.15 -37.31 75.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.989 . . . . 0.0 110.03 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.0 -41.6 97.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.96 -40.05 87.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.928 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -50.8 72.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.0 109.407 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.07 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.425 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.03 -39.93 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.589 -0.694 . . . . 0.0 109.407 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.02 91.0 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.22 -0.925 . . . . 0.0 109.796 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.04 -44.29 94.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.139 -0.976 . . . . 0.0 111.188 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.781 -1.199 . . . . 0.0 109.244 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.78 -39.98 86.71 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.99 -44.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.11 -55.24 36.3 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.863 -1.148 . . . . 0.0 110.659 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.21 -40.08 84.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 111.376 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.7 -39.91 80.28 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.277 -1.514 . . . . 0.0 110.172 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.22 -43.93 55.16 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.255 -0.903 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.9 t -69.63 -18.76 63.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.887 -1.133 . . . . 0.0 109.735 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.19 22.34 15.85 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.29 -60.15 2.08 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -1.208 . . . . 0.0 109.419 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.79 160.78 39.12 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.392 -0.818 . . . . 0.0 109.69 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 93.98 170.76 38.46 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 7.0 t70 -50.0 -95.06 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.183 -1.187 . . . . 0.0 109.408 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.503 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 33.1 ttmt -165.99 123.99 1.49 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.1 t-80 79.31 1.22 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.699 -0.625 . . . . 0.0 110.15 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -108.25 125.11 51.3 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.28 119.06 33.14 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.824 -1.172 . . . . 0.0 110.489 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -94.31 165.2 12.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.749 -0.594 . . . . 0.0 109.402 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -57.56 -39.99 77.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.983 -1.073 . . . . 0.0 110.018 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -60.08 -39.69 86.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.074 -1.016 . . . . 0.0 109.06 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.59 -39.88 77.03 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.92 -44.08 97.71 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.21 -40.42 93.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.424 -0.797 . . . . 0.0 109.761 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.63 -44.66 81.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -0.96 . . . . 0.0 110.289 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.502 HD11 ' OE1' ' B' ' 39' ' ' GLU . 59.0 tp -59.99 -49.09 79.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.323 -0.861 . . . . 0.0 109.821 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 89.3 mt -60.05 -43.84 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.141 -0.974 . . . . 0.0 110.09 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.23 -39.99 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.117 -0.989 . . . . 0.0 111.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -84.14 -13.65 52.33 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.874 -1.141 . . . . 0.0 112.57 -177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.502 ' OE1' HD11 ' B' ' 35' ' ' LEU . 98.8 mt-10 -128.0 -89.99 0.52 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.855 -1.153 . . . . 0.0 112.332 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 85.6 mt -75.24 129.01 36.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.079 -1.013 . . . . 0.0 111.044 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t -149.96 -40.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -75.95 -18.45 59.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.487 -0.758 . . . . 0.0 109.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.489 ' C ' HD22 ' B' ' 44' ' ' LEU . 97.5 m-85 -99.29 -12.07 20.69 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.291 -0.881 . . . . 0.0 109.969 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.489 HD22 ' C ' ' B' ' 43' ' ' PHE . 3.8 mm? -107.33 -108.8 0.31 Allowed 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -177.03 143.4 0.4 Allowed 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.21 127.57 32.25 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.839 -1.163 . . . . 0.0 108.106 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.48 130.03 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.341 -0.849 . . . . 0.0 109.905 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -107.03 -26.1 11.3 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.582 -0.699 . . . . 0.0 109.401 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.79 132.71 53.97 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.512 -0.743 . . . . 0.0 110.495 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 30.2 tt0 -64.27 -39.27 93.6 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.692 0.758 . . . . 0.0 109.282 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -45.21 -33.12 2.16 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.656 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 64.9 t -69.81 -32.22 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 69.2 t -70.0 -42.67 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.57 -0.706 . . . . 0.0 109.589 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.1 -40.14 92.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.265 -0.897 . . . . 0.0 110.855 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.38 -45.41 93.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.157 -0.965 . . . . 0.0 108.643 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.49 -39.96 82.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.225 0.536 . . . . 0.0 110.037 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 94.9 mtp -67.52 -40.01 85.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.154 -0.966 . . . . 0.0 110.698 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.37 -43.74 85.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.954 -1.091 . . . . 0.0 109.088 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -70.22 -39.9 74.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.91 -40.08 75.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.6 -0.688 . . . . 0.0 109.674 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.1 105.67 1.75 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.121 -0.987 . . . . 0.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -61.17 -40.02 92.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.423 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -95.72 -9.51 31.67 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.23 -0.919 . . . . 0.0 111.13 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.32 73.11 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -4.18 19.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.072 -1.252 . . . . 0.0 109.344 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.63 -17.8 50.34 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 55.2 mp0 -129.79 164.54 23.83 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.023 -1.28 . . . . 0.0 108.639 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 t -99.84 109.11 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 27.1 t0 -71.01 175.48 5.13 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.835 0.826 . . . . 0.0 110.65 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 43.6 t80 -62.95 -50.16 71.91 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.231 0.539 . . . . 0.0 110.627 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -54.06 50.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.079 -1.013 . . . . 0.0 109.551 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' B' ' 75' ' ' ALA . 39.8 mt-10 -59.99 -44.32 94.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.756 -1.215 . . . . 0.0 107.77 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -49.01 -40.03 29.25 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.57 -30.15 71.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.37 -51.51 59.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -52.68 -40.03 62.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -42.84 90.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 81' ' ' THR . 41.9 p -70.57 -46.25 63.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.137 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 25.3 ttt -51.84 -40.0 59.79 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.13 -0.981 . . . . 0.0 108.999 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.43 -27.63 39.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' B' ' 78' ' ' SER . 23.8 m -79.9 -49.43 11.92 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.4 p -70.0 -14.18 62.58 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.566 -0.709 . . . . 0.0 109.393 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . -71.33 -45.7 62.37 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 109.343 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 86.0 m -78.74 151.57 32.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.162 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -70.13 150.14 46.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.037 -1.039 . . . . 0.0 109.281 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -40.11 88.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.238 -0.913 . . . . 0.0 109.451 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -87.15 130.54 34.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.85 . . . . 0.0 109.439 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 63.2 t80 -139.96 -15.75 1.0 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.284 -0.885 . . . . 0.0 109.408 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -100.0 121.44 41.36 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.345 -0.847 . . . . 0.0 109.773 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -66.82 -40.02 87.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.241 -0.912 . . . . 0.0 109.176 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.491 179.805 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.399 0.618 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 56.2 mp0 -59.93 -33.21 71.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.522 -0.736 . . . . 0.0 109.829 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.6 tp -68.38 -34.24 75.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.94 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.3 -41.04 96.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.033 -1.042 . . . . 0.0 109.249 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.07 -39.57 86.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 0.0 109.926 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.14 94.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.105 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.4 -48.17 68.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.174 -0.954 . . . . 0.0 109.064 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.73 -40.51 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.597 -0.689 . . . . 0.0 110.642 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.854 -1.154 . . . . 0.0 110.159 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.98 -41.14 91.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.684 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.0 -50.26 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.684 -1.26 . . . . 0.0 109.353 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.56 -39.98 89.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 0.0 109.459 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.67 -49.24 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.445 -0.785 . . . . 0.0 109.571 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.0 -53.25 60.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.246 -0.909 . . . . 0.0 109.393 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -59.99 -40.58 89.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 112.117 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -70.8 -40.2 72.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.002 -1.686 . . . . 0.0 110.471 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -77.51 -48.42 17.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.377 -0.827 . . . . 0.0 110.583 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.6 t -78.33 -19.9 52.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.949 -1.094 . . . . 0.0 110.146 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.36 11.01 72.56 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -83.03 -40.63 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.241 . . . . 0.0 108.658 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -148.12 150.98 34.83 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.14 -169.26 49.65 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.053 -1.07 . . . . 0.0 110.529 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -95.36 141.17 29.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.475 -1.015 . . . . 0.0 110.033 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 30.3 ttmt -62.15 138.75 58.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.538 -0.726 . . . . 0.0 109.94 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 1.6 t-160 79.2 27.66 0.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.608 0.718 . . . . 0.0 109.318 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -153.4 100.6 2.45 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.1 mp -99.82 124.39 45.06 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.346 -0.846 . . . . 0.0 109.928 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -93.03 165.82 12.66 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -58.4 -39.98 81.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.033 -1.042 . . . . 0.0 109.417 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -62.76 -40.42 97.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.891 -1.131 . . . . 0.0 108.799 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.09 -32.9 71.19 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.502 0.668 . . . . 0.0 109.311 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -69.03 -40.09 78.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.482 -0.761 . . . . 0.0 109.307 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.2 -40.03 90.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.427 -0.796 . . . . 0.0 110.73 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.01 -43.67 95.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.008 -1.057 . . . . 0.0 109.95 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 39' ' ' GLU . 61.9 tp -59.94 -47.75 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.317 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' GLU . 96.7 mt -61.62 -42.36 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.19 -40.41 95.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.872 -1.143 . . . . 0.0 108.855 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.52 -49.9 10.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.492 ' OE1' HD11 ' A' ' 35' ' ' LEU . 99.0 mt-10 -112.16 170.24 8.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.665 0.745 . . . . 0.0 110.567 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt 54.71 24.87 5.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.795 -0.566 . . . . 0.0 110.739 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 109.257 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -70.04 -19.63 63.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.477 -0.764 . . . . 0.0 110.622 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -98.68 -17.44 18.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.092 -1.005 . . . . 0.0 109.972 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.47 109.77 4.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -122.79 -23.71 5.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.477 -0.764 . . . . 0.0 109.981 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 9.3 pt-20 -71.05 -113.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.102 . . . . 0.0 109.798 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mt 47.91 69.63 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.003 -1.061 . . . . 0.0 109.118 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -90.08 -19.87 23.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -119.13 138.84 52.64 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.208 -0.933 . . . . 0.0 110.246 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -62.53 -38.72 91.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.168 -0.958 . . . . 0.0 108.634 178.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -47.91 -33.62 7.87 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.01 -34.35 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 108.766 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLN . 67.1 t -67.19 -47.32 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.423 -0.798 . . . . 0.0 109.467 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.85 -41.43 95.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.23 -0.918 . . . . 0.0 109.839 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.04 -47.51 86.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.293 -0.879 . . . . 0.0 108.926 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.561 -0.712 . . . . 0.0 109.505 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.4 ttm -60.0 -44.13 94.75 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.176 -0.952 . . . . 0.0 109.963 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -42.38 94.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.122 -0.986 . . . . 0.0 109.521 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -65.08 -39.95 93.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.327 -0.858 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.7 -40.05 76.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.58 -0.7 . . . . 0.0 110.283 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.9 114.58 4.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.111 -0.993 . . . . 0.0 110.705 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -59.95 -43.17 95.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.741 -0.599 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -94.95 -4.98 45.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.052 -1.03 . . . . 0.0 110.646 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.42 33.23 68.03 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 119.764 -1.208 . . . . 0.0 110.279 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -77.36 2.05 17.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.126 -1.22 . . . . 0.0 109.797 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.37 11.4 71.61 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.52 160.06 40.84 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.6 t -110.01 104.84 13.79 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.827 -1.171 . . . . 0.0 109.862 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.49 174.47 4.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.897 0.856 . . . . 0.0 110.723 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.02 -49.9 75.85 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.527 0.679 . . . . 0.0 109.212 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.08 -54.51 45.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.431 -0.793 . . . . 0.0 109.674 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -59.94 -46.13 90.39 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -47.84 -37.99 15.07 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 tpt -66.97 -30.13 70.17 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -63.56 -53.52 50.46 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.8 -40.15 69.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.29 -45.98 95.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -64.8 -42.49 94.97 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.364 -0.835 . . . . 0.0 109.929 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.4 tpp -55.28 -39.95 70.44 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.215 -0.928 . . . . 0.0 108.713 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.0 -33.33 54.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.21 -0.931 . . . . 0.0 108.558 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.67 -45.89 90.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 0.0 109.299 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.1 p -67.77 -52.23 39.68 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.118 -0.988 . . . . 0.0 108.779 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.63 -40.13 18.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.236 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.09 137.83 57.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.317 -0.864 . . . . 0.0 108.924 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -60.2 133.59 56.24 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 109.621 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.24 -40.07 92.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.374 -0.829 . . . . 0.0 109.795 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -82.63 144.62 30.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.18 -0.95 . . . . 0.0 109.212 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.422 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 61.8 t80 -83.85 -15.64 47.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 108.819 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' PHE . 25.5 tp10 40.04 -130.01 0.34 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.831 -0.543 . . . . 0.0 110.251 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.505 ' C ' ' HD1' ' A' ' 90' ' ' HIS . 1.9 p80 -148.85 164.56 34.1 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.164 -0.96 . . . . 0.0 109.672 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.286 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 55.3 mp0 -60.03 -33.06 71.51 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.558 -0.714 . . . . 0.0 109.835 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.56 -34.14 75.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 110.014 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -61.29 -41.13 96.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.05 . . . . 0.0 109.227 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -59.99 -39.44 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.95 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.33 94.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.145 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.2 -48.42 67.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.281 -0.887 . . . . 0.0 109.052 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.57 -40.57 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.534 -0.729 . . . . 0.0 110.699 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.76 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.749 -1.219 . . . . 0.0 110.344 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.06 -41.24 91.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.162 -0.961 . . . . 0.0 110.693 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.97 -50.17 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.705 -1.247 . . . . 0.0 109.358 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.54 -40.13 90.41 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.361 -0.837 . . . . 0.0 109.395 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.62 -49.25 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.422 -0.799 . . . . 0.0 109.479 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.01 -53.29 59.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.276 -0.89 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.98 -40.36 88.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.139 -0.975 . . . . 0.0 112.152 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.01 -40.27 71.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 119.997 -1.69 . . . . 0.0 110.367 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -77.29 -48.49 17.31 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.813 . . . . 0.0 110.676 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -78.71 -19.57 52.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.911 -1.118 . . . . 0.0 109.99 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.4 10.97 72.75 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -82.95 -40.64 19.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 108.681 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -148.11 151.2 35.22 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.44 -169.41 49.28 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.444 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.68 141.11 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.503 -0.998 . . . . 0.0 109.924 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 31.3 ttmt -62.03 138.68 58.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.483 -0.761 . . . . 0.0 109.869 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 1.6 t-160 79.33 27.53 0.38 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.606 0.717 . . . . 0.0 109.183 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -153.06 100.63 2.5 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.446 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.9 mp -99.78 124.26 44.88 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.301 -0.874 . . . . 0.0 110.02 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -92.86 165.51 12.87 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -58.25 -40.03 80.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.084 -1.01 . . . . 0.0 109.347 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 t -62.82 -40.29 96.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.881 -1.137 . . . . 0.0 108.932 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.18 -32.48 70.44 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.468 0.652 . . . . 0.0 109.332 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.33 -40.17 77.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.451 -0.781 . . . . 0.0 109.241 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.22 -39.91 89.92 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.323 -0.861 . . . . 0.0 110.652 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.01 -43.85 94.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.963 -1.086 . . . . 0.0 109.788 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.491 HD11 ' OE1' ' B' ' 39' ' ' GLU . 61.6 tp -59.97 -47.61 85.11 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.188 -0.945 . . . . 0.0 109.18 -178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.9 mt -61.82 -42.25 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.167 -0.958 . . . . 0.0 109.934 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.42 -40.31 96.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.737 -1.227 . . . . 0.0 108.757 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -80.3 -49.91 10.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.752 -0.592 . . . . 0.0 110.625 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.491 ' OE1' HD11 ' B' ' 35' ' ' LEU . 99.2 mt-10 -112.28 170.0 8.47 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.591 0.71 . . . . 0.0 110.513 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.4 mt 55.05 24.78 6.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.841 -0.537 . . . . 0.0 110.697 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.8 m -59.96 -39.98 87.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.063 -1.023 . . . . 0.0 109.208 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.01 -19.79 63.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.483 -0.761 . . . . 0.0 110.744 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.5 -18.08 18.38 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.111 -0.993 . . . . 0.0 109.991 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.77 109.86 4.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.153 -0.967 . . . . 0.0 108.745 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -122.67 -24.09 4.97 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.472 -0.768 . . . . 0.0 110.025 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' B' ' 46' ' ' GLU . 9.4 pt-20 -70.94 -113.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.837 -1.164 . . . . 0.0 109.828 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mt 48.02 69.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.119 -0.988 . . . . 0.0 109.061 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.1 -19.85 23.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.219 -0.925 . . . . 0.0 109.881 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -119.05 139.16 52.2 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.289 -0.882 . . . . 0.0 110.227 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.53 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 0.9 OUTLIER -62.92 -38.57 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.1 -1.0 . . . . 0.0 108.542 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -48.2 -33.33 8.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.07 -34.81 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 50' ' ' GLN . 68.4 t -66.76 -47.2 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -0.806 . . . . 0.0 109.671 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.29 -41.11 96.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.154 -0.967 . . . . 0.0 109.827 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -61.29 -47.28 86.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.192 -0.942 . . . . 0.0 108.994 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.61 -40.13 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.401 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 6.6 ttm -60.0 -44.08 94.77 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.117 -0.989 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -42.55 94.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 109.434 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -64.9 -40.01 94.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 109.904 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.8 -40.05 76.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.277 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.85 114.73 4.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.063 -1.023 . . . . 0.0 110.495 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -60.04 -43.1 95.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.852 -0.53 . . . . 0.0 109.928 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -95.03 -4.94 45.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.051 -1.031 . . . . 0.0 110.595 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 33.54 69.4 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.267 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -77.41 1.95 17.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.124 -1.221 . . . . 0.0 109.767 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.74 11.23 73.08 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -140.81 160.08 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.1 t -109.7 104.88 13.94 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.889 -1.132 . . . . 0.0 109.898 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -69.6 174.84 4.6 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.877 0.846 . . . . 0.0 110.691 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.04 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.612 0.72 . . . . 0.0 109.244 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.97 -54.53 45.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 0.0 109.603 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -60.02 -46.37 89.73 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -47.66 -38.15 14.33 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.93 -30.0 70.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.15 -53.12 54.51 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -54.79 -40.23 69.25 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -46.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.9 p -64.56 -42.39 95.7 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.909 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.9 tpp -55.52 -40.02 71.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.108 -0.995 . . . . 0.0 108.684 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.78 -33.23 55.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.83 -46.0 89.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.825 . . . . 0.0 109.022 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.3 p -67.63 -52.33 39.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.104 -0.998 . . . . 0.0 108.758 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.52 -40.11 17.88 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.415 -0.803 . . . . 0.0 109.258 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t -59.6 137.75 57.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.272 -0.892 . . . . 0.0 108.935 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -60.16 133.59 56.24 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.19 -0.944 . . . . 0.0 109.638 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.06 -40.12 92.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.185 -0.947 . . . . 0.0 109.826 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.76 144.1 30.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.165 -0.96 . . . . 0.0 109.29 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 64.4 t80 -83.24 -15.63 49.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.171 -0.956 . . . . 0.0 108.996 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 40.01 -129.99 0.34 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.771 -0.58 . . . . 0.0 110.321 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.514 ' HD1' ' C ' ' B' ' 90' ' ' HIS . 1.7 p80 -148.94 164.77 33.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.124 -0.985 . . . . 0.0 109.471 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.28 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.66 -34.97 73.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -68.61 -34.02 75.04 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.975 -1.078 . . . . 0.0 108.83 179.28 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.62 -43.16 97.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.2 -0.937 . . . . 0.0 109.556 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.99 -40.15 88.19 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 110.042 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.24 78.39 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.595 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.25 -50.01 75.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.239 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.99 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.504 -0.748 . . . . 0.0 110.253 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.97 -41.29 91.66 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.769 -1.207 . . . . 0.0 109.642 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.01 -46.41 89.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 110.159 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -53.56 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.941 -1.1 . . . . 0.0 109.762 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.524 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 96.1 m-20 -60.34 -41.49 93.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.002 . . . . 0.0 109.473 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG11 HD23 ' B' ' 3' ' ' LEU . 76.0 t -69.95 -43.87 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.283 -0.885 . . . . 0.0 109.941 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.74 -53.68 52.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.987 -1.071 . . . . 0.0 110.304 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 19' ' ' GLY . 86.2 t60 -59.79 -47.69 84.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.91 -1.119 . . . . 0.0 111.634 -177.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -61.02 -40.34 93.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 119.988 -1.695 . . . . 0.0 109.791 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -71.8 -47.03 56.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.082 -1.011 . . . . 0.0 109.235 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -73.53 -19.39 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.077 -1.015 . . . . 0.0 109.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -84.46 17.8 27.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -85.53 -52.39 5.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.969 -1.312 . . . . 0.0 108.746 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.04 159.97 21.07 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.88 -35.49 12.67 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 2.3 p30 -60.28 136.54 58.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.913 -1.346 . . . . 0.0 109.402 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.36 -70.14 0.56 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.088 -1.008 . . . . 0.0 110.441 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -107.68 8.13 28.84 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.287 -0.883 . . . . 0.0 111.329 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -107.49 129.11 54.99 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.015 -1.053 . . . . 0.0 109.539 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 9.2 mp -99.79 130.04 45.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.277 -0.889 . . . . 0.0 109.385 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' H ' ' HB3' ' A' ' 31' ' ' GLU . 53.1 tttp -92.8 164.8 13.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.638 -0.664 . . . . 0.0 109.628 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -50.32 -51.76 42.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.959 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.6 m -61.41 -39.96 92.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.091 -1.005 . . . . 0.0 109.402 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 86.3 tt0 -69.5 -40.0 77.27 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.14 -48.23 82.56 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.645 -0.66 . . . . 0.0 109.885 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -59.94 -40.06 87.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.404 -0.81 . . . . 0.0 110.086 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.94 -40.98 90.78 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.869 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -57.44 -44.59 84.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.266 -0.896 . . . . 0.0 109.574 -178.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 39' ' ' GLU . 92.3 mt -70.03 -40.01 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.871 -1.143 . . . . 0.0 109.79 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' OG ' ' A' ' 41' ' ' SER . 98.5 m-20 -62.96 -41.0 99.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.768 -1.207 . . . . 0.0 109.836 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.96 -50.06 10.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.43 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' ILE . 82.2 tt0 -111.65 160.0 17.66 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.549 -0.719 . . . . 0.0 109.855 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 tp 69.93 -12.45 0.48 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.337 -0.852 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 53.9 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.977 -1.077 . . . . 0.0 109.471 179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -69.35 -9.95 55.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.508 -0.745 . . . . 0.0 110.915 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -101.16 -19.94 15.52 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.813 -1.179 . . . . 0.0 109.831 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD12 ' H ' ' A' ' 46' ' ' GLU . 2.1 pp -163.36 152.41 14.5 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.974 -1.079 . . . . 0.0 110.167 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 54.5 mp0 -133.05 35.64 3.51 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' H ' HD12 ' A' ' 44' ' ' LEU . 98.5 mt-10 -79.98 -9.72 59.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 110.492 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -78.11 129.23 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.847 -1.158 . . . . 0.0 109.472 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -154.87 -44.01 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 109.662 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -113.15 142.79 45.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.96 -38.98 84.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.315 -0.866 . . . . 0.0 109.567 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.05 -33.26 67.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.576 -0.703 . . . . 0.0 109.78 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -70.07 -36.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.1 -41.36 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.568 -0.707 . . . . 0.0 109.142 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.39 -40.1 93.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.139 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.1 -50.07 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -0.98 . . . . 0.0 108.915 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.29 -40.97 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.526 -0.734 . . . . 0.0 109.408 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.7 ttt -67.39 -40.08 85.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.347 -0.845 . . . . 0.0 110.531 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -47.27 86.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.968 -1.083 . . . . 0.0 108.377 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -63.05 -40.02 96.46 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.2 -48.39 81.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.568 -0.708 . . . . 0.0 109.966 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.95 100.85 0.44 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.34 -0.85 . . . . 0.0 110.587 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -40.72 90.4 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.657 -0.652 . . . . 0.0 109.277 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -88.35 -11.89 44.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.143 -0.973 . . . . 0.0 109.938 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.03 31.38 69.55 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -72.4 -4.47 30.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 111.037 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 -6.62 71.59 Favored Glycine 0 N--CA 1.497 2.705 0 O-C-N 120.675 -1.266 . . . . 0.0 110.519 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -136.68 162.83 32.08 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.261 -1.141 . . . . 0.0 108.278 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -104.07 107.39 18.26 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.87 -1.144 . . . . 0.0 109.991 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.54 176.52 5.36 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.049 0.928 . . . . 0.0 111.397 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -60.05 -49.91 75.78 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.004 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.36 -55.08 39.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.342 -0.848 . . . . 0.0 109.263 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.7 mt-10 -60.02 -44.25 94.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.859 -1.151 . . . . 0.0 108.37 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -48.76 -40.0 27.13 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.5 tpt -69.48 -30.35 68.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -62.6 -57.32 11.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.036 -1.04 . . . . 0.0 108.402 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -49.96 -39.68 41.46 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.95 -41.25 91.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.9 p -71.63 -49.07 43.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.236 -0.915 . . . . 0.0 109.74 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -52.13 -40.95 62.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.557 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -72.69 -28.52 27.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 121.077 -1.015 . . . . 0.0 108.564 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 m -69.87 -43.16 72.41 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -70.03 -59.01 3.17 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.4 -40.85 8.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.707 -0.621 . . . . 0.0 109.787 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.0 123.01 15.76 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.27 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -81.59 145.34 30.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.38 -0.825 . . . . 0.0 109.636 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' PHE . 99.8 mt-10 -52.51 -92.68 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.209 -0.932 . . . . 0.0 108.976 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' GLU . 42.6 m-85 41.09 43.08 1.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.487 -0.758 . . . . 0.0 110.522 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.99 -44.45 94.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.075 -1.016 . . . . 0.0 109.282 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.83 98.97 7.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.471 -0.768 . . . . 0.0 110.052 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.95 164.23 33.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.514 -0.741 . . . . 0.0 109.291 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.917 -1.039 . . . . 0.0 109.512 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.78 -34.54 73.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.108 -0.995 . . . . 0.0 109.548 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.527 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -69.03 -33.97 74.46 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.958 -1.089 . . . . 0.0 108.835 179.403 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.67 -42.99 98.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.246 -0.908 . . . . 0.0 109.458 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.06 -40.15 88.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.972 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.51 77.35 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.081 -1.012 . . . . 0.0 108.663 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.14 -50.07 75.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.885 . . . . 0.0 109.189 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.48 -0.763 . . . . 0.0 110.191 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.43 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.81 -1.181 . . . . 0.0 109.529 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.96 -46.68 88.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.988 . . . . 0.0 110.077 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.99 -53.69 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.89 -1.131 . . . . 0.0 109.691 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.514 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 95.9 m-20 -60.13 -41.66 93.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.128 -0.982 . . . . 0.0 109.522 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.411 HG11 HD23 ' A' ' 3' ' ' LEU . 60.7 t -70.0 -43.44 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -62.02 -53.68 52.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.982 -1.074 . . . . 0.0 110.328 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' B' ' 19' ' ' GLY . 86.2 t60 -59.82 -47.6 85.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.866 -1.146 . . . . 0.0 111.526 -177.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 12' ' ' ASP . 1.0 OUTLIER -61.24 -40.03 92.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.138 -1.601 . . . . 0.0 109.837 -179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -71.98 -46.93 55.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.131 -0.98 . . . . 0.0 109.142 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.7 p -73.71 -19.42 60.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.069 -1.02 . . . . 0.0 109.851 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -84.4 17.72 27.7 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -85.43 -52.29 5.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.008 -1.289 . . . . 0.0 108.782 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -84.05 159.97 21.06 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.95 -35.41 12.93 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' B' ' 23' ' ' ASP . 2.3 p30 -60.43 136.53 58.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.849 -1.383 . . . . 0.0 109.401 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -81.27 -70.06 0.56 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 110.439 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -107.97 8.31 28.35 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.324 -0.86 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -107.59 129.08 55.02 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.045 -1.034 . . . . 0.0 109.583 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.477 HD12 ' N ' ' B' ' 27' ' ' LEU . 9.2 mp -99.88 129.92 46.01 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.319 -0.863 . . . . 0.0 109.313 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.419 ' H ' ' HB3' ' B' ' 31' ' ' GLU . 53.9 tttp -92.93 164.68 13.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.533 -0.729 . . . . 0.0 109.757 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -50.25 -51.71 42.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.374 -0.828 . . . . 0.0 109.971 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.7 m -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.001 -1.062 . . . . 0.0 109.408 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.419 ' HB3' ' H ' ' B' ' 28' ' ' LYS . 86.0 tt0 -69.4 -40.0 77.59 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.421 HD23 ' SD ' ' B' ' 57' ' ' MET . 63.1 tp -61.65 -47.85 83.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.708 -0.62 . . . . 0.0 109.834 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -39.93 87.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.322 -0.861 . . . . 0.0 110.045 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.03 -41.04 91.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 108.835 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.485 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -57.29 -44.68 84.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.617 -178.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' B' ' 39' ' ' GLU . 90.8 mt -70.02 -40.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.89 -1.131 . . . . 0.0 109.862 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.415 ' O ' ' OG ' ' B' ' 41' ' ' SER . 98.6 m-20 -63.08 -40.95 99.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.778 -1.201 . . . . 0.0 109.778 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -79.93 -50.0 11.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.356 -0.84 . . . . 0.0 109.622 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.473 ' O ' ' O ' ' B' ' 36' ' ' ILE . 80.9 tt0 -111.77 159.94 17.79 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.494 -0.754 . . . . 0.0 109.71 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp 70.0 -12.52 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.424 -0.797 . . . . 0.0 110.562 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 39' ' ' GLU . 54.3 m -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.951 -1.093 . . . . 0.0 109.426 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -69.22 -9.88 55.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.49 -0.756 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -101.19 -20.0 15.48 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.946 -1.096 . . . . 0.0 109.767 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.517 HD12 ' H ' ' B' ' 46' ' ' GLU . 2.1 pp -163.44 152.55 14.48 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.804 -1.185 . . . . 0.0 110.223 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 54.4 mp0 -133.17 35.72 3.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.517 ' H ' HD12 ' B' ' 44' ' ' LEU . 98.5 mt-10 -79.98 -9.71 59.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.513 -0.742 . . . . 0.0 110.52 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.0 128.99 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.155 . . . . 0.0 109.545 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -154.87 -43.99 0.09 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.271 -0.893 . . . . 0.0 109.659 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -113.12 142.63 45.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.534 -0.729 . . . . 0.0 109.355 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -38.96 84.09 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -57.01 -33.25 66.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.578 -0.701 . . . . 0.0 109.684 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.15 -36.28 67.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.963 -1.086 . . . . 0.0 108.09 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.57 -41.43 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -64.96 -40.36 94.88 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.393 -0.817 . . . . 0.0 110.219 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.22 -49.79 74.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.156 -0.965 . . . . 0.0 108.979 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.33 -41.15 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.457 -0.777 . . . . 0.0 109.282 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.421 ' SD ' HD23 ' B' ' 32' ' ' LEU . 27.1 ttt -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.396 -0.815 . . . . 0.0 110.498 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -47.16 86.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.061 -1.024 . . . . 0.0 108.442 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -63.12 -39.96 96.21 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.566 0.698 . . . . 0.0 109.16 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.37 -47.88 84.17 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.933 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.31 100.9 0.51 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.334 -0.854 . . . . 0.0 110.637 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.94 -40.9 90.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.66 -0.65 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -88.35 -11.81 45.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.985 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.0 31.13 69.62 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -72.26 -4.54 30.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -1.196 . . . . 0.0 110.987 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.06 -5.91 73.93 Favored Glycine 0 N--CA 1.496 2.691 0 O-C-N 120.705 -1.247 . . . . 0.0 110.54 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -136.97 162.66 32.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -1.137 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 38.1 t -103.81 107.25 18.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.967 -1.083 . . . . 0.0 109.997 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.56 176.52 5.37 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.076 0.941 . . . . 0.0 111.491 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -59.97 -49.88 75.93 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.357 0.598 . . . . 0.0 110.059 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.64 -54.93 40.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.227 -0.921 . . . . 0.0 109.22 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.7 mt-10 -59.95 -44.17 94.58 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.81 -1.181 . . . . 0.0 108.371 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -48.79 -39.99 27.32 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.2 tpt -69.56 -30.18 67.91 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.95 -57.12 11.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.017 -1.052 . . . . 0.0 108.304 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -49.87 -39.8 40.55 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.79 -41.51 92.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.9 p -71.7 -48.95 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 0.0 109.812 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -52.21 -40.72 61.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.8 -28.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.195 -0.941 . . . . 0.0 108.591 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.1 m -69.87 -43.2 72.31 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -69.96 -59.01 3.18 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.56 -40.74 9.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.573 -0.705 . . . . 0.0 109.715 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.0 t -59.93 123.24 16.44 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.201 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -81.66 145.4 30.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.431 -0.793 . . . . 0.0 109.561 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' B' ' 87' ' ' PHE . 98.8 mt-10 -52.85 -92.4 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.14 -0.975 . . . . 0.0 109.019 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' B' ' 86' ' ' GLU . 42.9 m-85 41.2 43.09 1.87 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.515 -0.74 . . . . 0.0 110.519 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.08 -44.26 94.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.148 -0.97 . . . . 0.0 109.213 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -80.07 99.04 7.51 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.469 -0.769 . . . . 0.0 110.073 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -160.0 164.4 33.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.477 -0.765 . . . . 0.0 109.336 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.043 -1.036 . . . . 0.0 109.479 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.99 -37.66 80.3 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 110.207 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.02 -35.75 74.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.019 -1.05 . . . . 0.0 109.798 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.38 -40.26 89.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.0 109.717 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -62.8 -40.1 96.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.105 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.71 89.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.141 -0.974 . . . . 0.0 109.639 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 109.125 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.25 -34.41 53.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.775 -0.578 . . . . 0.0 109.719 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.11 86.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.891 -1.131 . . . . 0.0 109.651 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.7 mp -61.58 -45.83 92.46 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.085 -1.01 . . . . 0.0 110.723 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.818 -1.176 . . . . 0.0 109.221 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -40.11 88.11 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -41.02 78.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.493 -0.754 . . . . 0.0 109.666 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.25 -57.36 7.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.132 -0.98 . . . . 0.0 110.26 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -59.78 -41.35 90.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.104 -0.997 . . . . 0.0 111.243 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.01 -39.97 75.53 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.293 -1.504 . . . . 0.0 108.835 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.507 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 47.2 t80 -73.32 -46.66 48.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.613 -0.68 . . . . 0.0 110.281 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -70.02 -21.08 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.89 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.62 20.71 36.76 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -82.18 -47.75 12.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.167 -1.196 . . . . 0.0 109.537 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.19 146.27 33.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.439 -0.788 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.74 -120.71 5.23 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -139.0 147.64 42.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.48 -1.012 . . . . 0.0 109.372 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 55.1 pttt -70.01 144.85 52.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.43 -0.794 . . . . 0.0 109.785 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 15.6 t60 81.77 13.59 0.59 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -147.9 104.65 3.59 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.47 130.08 47.64 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.173 -0.955 . . . . 0.0 110.507 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -91.23 162.98 14.41 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -59.77 -39.97 86.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.01 -1.056 . . . . 0.0 109.346 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 32.9 t -62.08 -40.04 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 108.952 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.94 -30.76 68.22 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -68.62 -39.95 80.59 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.9 -41.9 98.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.522 -0.736 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mp0 -60.46 -44.34 95.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.044 -1.035 . . . . 0.0 110.082 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.507 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 8.7 tt -59.91 -47.68 84.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.933 . . . . 0.0 110.258 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.18 -46.99 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 110.835 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -70.0 -21.55 63.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.017 -1.052 . . . . 0.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.56 -1.59 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.93 -1.106 . . . . 0.0 112.084 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -165.84 -49.63 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.322 -1.486 . . . . 0.0 111.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.48 120.63 25.73 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.61 -1.306 . . . . 0.0 109.791 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 p -150.47 -35.71 0.15 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.306 -0.871 . . . . 0.0 109.708 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.729 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -79.17 -15.83 57.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.247 -0.908 . . . . 0.0 110.894 -179.204 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD2' ' CD2' ' A' ' 42' ' ' HIS . 64.9 m-85 -102.77 -18.97 14.9 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.019 -1.051 . . . . 0.0 109.473 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 ' C ' ' A' ' 43' ' ' PHE . 10.1 mp -112.86 163.41 14.66 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 57.4 mp0 -71.68 3.29 4.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.847 . . . . 0.0 109.463 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 43.5 tt0 78.51 21.27 0.8 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' GLU . 37.1 mm 46.88 95.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.447 -0.783 . . . . 0.0 109.929 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -80.0 -69.97 0.55 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.631 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -107.27 157.88 17.57 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.485 -0.76 . . . . 0.0 109.764 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.92 -37.77 80.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.287 -0.883 . . . . 0.0 109.756 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.09 39.44 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.264 -0.898 . . . . 0.0 109.915 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.67 -34.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.083 -1.011 . . . . 0.0 108.968 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.449 -0.782 . . . . 0.0 109.93 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.14 -41.87 93.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.278 -0.889 . . . . 0.0 110.408 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.75 -49.91 75.6 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.134 -0.979 . . . . 0.0 108.767 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.16 -40.65 83.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.732 -0.605 . . . . 0.0 109.581 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.58 -51.31 69.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.234 -0.916 . . . . 0.0 110.165 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.03 -41.68 99.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.062 -1.024 . . . . 0.0 108.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.43 -39.94 81.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.08 -39.97 75.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.483 -0.761 . . . . 0.0 109.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.31 104.09 1.41 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.074 -1.016 . . . . 0.0 109.636 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.23 -39.97 94.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.575 -0.703 . . . . 0.0 109.822 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -92.47 -7.62 46.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.24 -0.912 . . . . 0.0 111.265 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.53 73.01 Favored Glycine 0 N--CA 1.493 2.454 0 C-N-CA 119.502 -1.332 . . . . 0.0 109.947 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -70.36 -1.53 10.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.013 -1.287 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.49 -19.5 23.42 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.364 -0.922 . . . . 0.0 110.94 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 27.1 mp0 -124.26 173.65 8.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.155 -1.203 . . . . 0.0 109.055 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.8 104.08 13.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.351 -0.843 . . . . 0.0 109.512 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.14 176.09 4.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.418 -0.801 . . . . 0.0 110.512 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.02 -48.1 83.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.62 -0.675 . . . . 0.0 109.379 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -58.54 -55.13 39.02 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.956 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -43.14 95.54 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.963 -1.085 . . . . 0.0 108.473 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -50.46 -46.67 56.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.56 -39.97 80.83 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.08 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.095 -1.003 . . . . 0.0 110.416 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -91.89 -27.71 17.75 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.99 -42.14 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 t -66.78 -45.66 77.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.865 . . . . 0.0 108.942 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.38 -39.95 58.21 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.05 -1.031 . . . . 0.0 109.241 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.7 -29.86 47.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.5 p -81.41 -46.55 14.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 109.441 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 p -70.15 -15.11 62.91 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 109.872 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.79 65.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.251 -0.906 . . . . 0.0 109.048 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 95.3 m -78.97 144.72 34.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.58 -0.7 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -80.01 169.99 17.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.24 -0.912 . . . . 0.0 109.606 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.73 156.97 37.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.317 -0.864 . . . . 0.0 109.914 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 41.1 t80 59.96 25.32 14.49 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.677 -0.64 . . . . 0.0 110.022 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -60.09 -39.99 88.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.109 -0.994 . . . . 0.0 108.927 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.75 140.03 58.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.547 -0.721 . . . . 0.0 109.133 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.2 m80 56.23 26.77 10.79 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 0.0 110.033 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 C--N 1.296 -1.753 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.398 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.03 -37.55 80.09 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.201 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -69.96 -35.91 74.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.086 -1.009 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -66.32 -40.11 89.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 109.766 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.03 -40.1 96.72 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.986 -1.071 . . . . 0.0 109.987 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.61 89.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.926 . . . . 0.0 109.847 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 46.7 ttm -60.02 -49.74 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.326 -0.859 . . . . 0.0 109.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.26 -34.52 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.1 86.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.961 -1.087 . . . . 0.0 109.638 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.52 -45.94 92.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.111 -0.993 . . . . 0.0 110.714 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.08 -49.96 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.806 -1.184 . . . . 0.0 109.185 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.59 -41.08 77.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.783 . . . . 0.0 109.646 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -66.21 -57.35 7.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.224 -0.922 . . . . 0.0 110.289 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.7 -41.46 90.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.107 -0.996 . . . . 0.0 111.246 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.94 -40.05 75.72 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.293 -1.504 . . . . 0.0 108.87 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.51 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 46.3 t80 -73.21 -46.94 47.47 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.465 -0.772 . . . . 0.0 110.396 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -70.03 -20.88 63.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.775 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.52 20.5 37.7 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -82.17 -47.62 12.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.121 -1.223 . . . . 0.0 109.452 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.13 146.38 33.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.373 -0.829 . . . . 0.0 109.584 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.77 -120.78 5.25 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -138.94 147.67 42.56 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.492 -1.005 . . . . 0.0 109.366 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 55.5 pttt -70.13 144.68 51.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.336 -0.852 . . . . 0.0 109.812 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 15.9 t60 82.08 13.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -147.89 104.73 3.6 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.48 130.01 47.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.043 -1.036 . . . . 0.0 110.473 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.11 162.92 14.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.72 -40.04 86.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.027 -1.046 . . . . 0.0 109.319 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.443 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 32.6 t -61.96 -40.12 94.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.988 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.93 -30.7 68.17 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.755 0.788 . . . . 0.0 108.925 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.5 -39.95 81.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -62.02 -41.89 98.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.589 -0.695 . . . . 0.0 110.627 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 30' ' ' SER . 2.6 mp0 -60.33 -44.52 95.42 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.016 -1.052 . . . . 0.0 110.053 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.51 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 8.9 tt -60.0 -47.41 85.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.151 -0.968 . . . . 0.0 110.299 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.3 -47.0 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.202 -0.937 . . . . 0.0 110.834 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -70.02 -21.36 63.2 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.109 -0.995 . . . . 0.0 111.087 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -86.64 -1.77 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.879 -1.138 . . . . 0.0 112.23 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.64 -49.68 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.282 -1.511 . . . . 0.0 111.544 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -82.23 120.68 25.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.559 -1.338 . . . . 0.0 109.731 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 53.5 p -150.58 -35.73 0.15 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.348 -0.845 . . . . 0.0 109.692 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.716 ' CD2' ' H ' ' B' ' 42' ' ' HIS . 0.1 OUTLIER -79.33 -15.82 57.32 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.33 -0.856 . . . . 0.0 110.847 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.559 ' CD2' ' CD2' ' B' ' 42' ' ' HIS . 64.8 m-85 -102.77 -18.78 14.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.021 -1.049 . . . . 0.0 109.509 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.489 HD12 ' C ' ' B' ' 43' ' ' PHE . 10.2 mp -112.91 163.38 14.72 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 57.3 mp0 -71.75 3.5 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.486 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.6 tt0 78.26 21.35 0.85 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.415 0.626 . . . . 0.0 109.437 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' B' ' 46' ' ' GLU . 36.5 mm 46.92 95.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.443 -0.786 . . . . 0.0 109.957 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -79.96 -70.11 0.54 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.362 -0.836 . . . . 0.0 109.472 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -107.26 158.09 17.4 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.423 -0.798 . . . . 0.0 109.819 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -60.11 -37.65 80.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 0.0 109.674 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.49 -30.04 39.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.249 -0.907 . . . . 0.0 109.931 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.62 -34.72 71.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.081 -1.012 . . . . 0.0 108.935 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.3 t -66.27 -46.5 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -60.16 -41.83 93.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.209 -0.932 . . . . 0.0 110.369 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.66 -49.9 75.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.103 -0.998 . . . . 0.0 108.792 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.27 -40.74 83.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.73 -0.606 . . . . 0.0 109.549 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 tpt -61.59 -51.19 69.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.292 -0.88 . . . . 0.0 110.254 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.0 -41.77 99.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 108.809 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -68.32 -39.99 81.78 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.0 -40.41 75.3 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.429 -0.794 . . . . 0.0 109.829 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.72 104.05 1.23 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.148 -0.97 . . . . 0.0 109.643 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.21 -40.0 94.65 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.544 -0.723 . . . . 0.0 109.884 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -92.49 -7.62 46.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.242 -0.911 . . . . 0.0 111.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.71 26.42 73.0 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.0 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.431 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 35.4 p-10 -70.12 -1.74 10.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.023 -1.28 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -19.48 23.85 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.355 -0.926 . . . . 0.0 110.862 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 27.1 mp0 -124.22 173.84 8.08 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.151 -1.205 . . . . 0.0 109.036 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 94.1 m -108.93 104.14 13.32 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.439 -0.788 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.25 176.18 4.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.427 -0.796 . . . . 0.0 110.505 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.0 -48.32 82.21 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.472 0.653 . . . . 0.0 109.292 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -58.44 -55.06 39.88 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.989 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -43.2 95.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.983 -1.073 . . . . 0.0 108.445 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.46 -46.47 56.73 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 98.3 mmm -68.8 -39.8 79.91 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.23 -13.1 2.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.051 -1.03 . . . . 0.0 110.411 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -91.72 -27.79 17.84 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.96 -42.32 89.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 45.5 t -66.71 -45.81 77.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 108.904 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 97.4 mtp -51.21 -40.03 57.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.147 -0.971 . . . . 0.0 109.308 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.6 -29.8 47.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 109.714 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 58.7 p -81.5 -46.67 14.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.165 -0.959 . . . . 0.0 109.4 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 p -70.03 -15.2 62.97 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.527 -0.733 . . . . 0.0 109.927 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.85 65.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 109.042 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.6 m -79.0 144.83 34.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.345 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -80.05 170.02 17.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.0 109.656 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.62 156.91 37.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.406 -0.809 . . . . 0.0 109.92 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.508 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 41.2 t80 59.91 25.25 14.37 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.725 -0.609 . . . . 0.0 110.047 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 108.917 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.65 140.03 58.82 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.392 -0.818 . . . . 0.0 109.014 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 m80 56.16 26.71 10.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.537 -0.727 . . . . 0.0 110.014 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--N 1.295 -1.778 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.42 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.445 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 97.4 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -66.19 -32.58 74.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 110.215 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.97 -38.14 75.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.1 mp0 -64.33 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.037 -1.039 . . . . 0.0 109.532 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.23 -39.75 87.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.067 -1.02 . . . . 0.0 109.315 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.92 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.12 -48.02 83.46 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.191 -0.943 . . . . 0.0 109.123 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.05 -37.81 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.533 -0.729 . . . . 0.0 109.35 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.16 78.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.879 -1.138 . . . . 0.0 109.415 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.03 -47.99 83.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.98 -1.075 . . . . 0.0 110.575 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.05 -51.2 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.011 -1.056 . . . . 0.0 110.119 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.03 -40.53 89.68 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.346 -0.846 . . . . 0.0 109.135 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.0 -41.46 79.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.431 -0.793 . . . . 0.0 109.772 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.88 -55.9 28.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.105 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -59.9 -40.1 87.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.119 -0.988 . . . . 0.0 111.586 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.69 -40.31 92.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 119.977 -1.702 . . . . 0.0 110.399 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -71.34 -42.36 68.64 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.259 -0.9 . . . . 0.0 110.089 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.419 ' OG ' HD11 ' A' ' 27' ' ' LEU . 54.6 m -72.95 -13.22 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.645 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.59 13.95 62.69 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 121.142 -0.974 . . . . 0.0 110.824 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -68.92 -39.79 79.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.821 -1.399 . . . . 0.0 109.031 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -96.59 1.5 51.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.553 -0.717 . . . . 0.0 109.68 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.73 -9.97 75.32 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 39.5 p-10 -99.62 106.12 18.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.324 -1.104 . . . . 0.0 109.433 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 64.7 mttp -93.05 146.41 23.66 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.146 -0.971 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 10.6 t-80 74.76 31.39 0.92 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.615 -0.678 . . . . 0.0 109.994 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -158.97 101.04 1.6 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -100.25 121.12 40.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.276 -0.89 . . . . 0.0 111.234 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -92.31 164.53 13.48 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.15 -38.58 73.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.112 -0.992 . . . . 0.0 110.018 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -34.29 74.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.035 -1.041 . . . . 0.0 109.151 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.54 -30.43 64.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.563 -0.711 . . . . 0.0 109.169 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.22 -41.79 89.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.422 -0.798 . . . . 0.0 109.456 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -63.92 -44.88 91.58 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.355 -0.841 . . . . 0.0 110.185 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -42.24 79.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.782 -1.199 . . . . 0.0 109.925 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.518 HD11 ' OE2' ' A' ' 39' ' ' GLU . 57.8 tp -60.16 -49.08 79.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.873 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.19 -47.74 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.197 -0.939 . . . . 0.0 110.41 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -60.04 -41.4 92.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.068 -1.02 . . . . 0.0 111.101 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -72.66 -41.66 65.18 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.012 -1.055 . . . . 0.0 110.896 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.518 ' OE2' HD11 ' A' ' 35' ' ' LEU . 99.9 mt-10 -87.44 -75.06 0.42 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.454 -0.779 . . . . 0.0 111.44 -177.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.8 mp -82.01 120.76 25.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.035 . . . . 0.0 110.597 -178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -131.26 -60.05 0.96 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -81.82 -10.76 59.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.191 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -98.73 -0.56 42.52 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 tp -145.92 145.02 30.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.024 -1.047 . . . . 0.0 109.187 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 58.2 mp0 -69.93 142.23 52.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 108.9 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 51.5 mp0 -64.64 139.87 58.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -99.98 120.53 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.368 -0.832 . . . . 0.0 109.751 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -96.48 -22.88 16.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.892 . . . . 0.0 109.685 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -115.17 130.03 56.81 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' VAL . 54.5 tt0 -60.74 -38.9 86.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.653 -0.654 . . . . 0.0 110.246 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -46.24 -32.5 3.09 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.159 -0.963 . . . . 0.0 109.617 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.87 -31.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.326 -0.858 . . . . 0.0 108.893 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' GLN . 55.3 t -69.61 -41.15 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 108.869 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.15 -40.01 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.571 -0.706 . . . . 0.0 109.838 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -65.88 -40.62 91.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 108.767 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.05 -40.17 88.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.644 -0.66 . . . . 0.0 109.366 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 ttm -66.17 -44.39 84.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 0.0 110.185 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.28 -50.33 74.07 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 109.627 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -70.08 -39.99 75.26 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.509 -0.745 . . . . 0.0 109.651 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.05 -39.76 75.53 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.473 -0.767 . . . . 0.0 109.768 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 65.1 t0 -66.16 110.53 3.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.324 -0.86 . . . . 0.0 110.241 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.06 -49.69 76.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.686 -0.633 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -94.19 -1.22 54.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.039 -1.038 . . . . 0.0 111.264 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.74 71.99 Favored Glycine 0 N--CA 1.49 2.294 0 O-C-N 120.632 -1.293 . . . . 0.0 110.274 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 39.3 p-10 -72.58 -0.86 14.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.358 . . . . 0.0 109.717 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.71 28.37 65.33 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -159.43 159.5 33.73 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.8 t -113.92 103.54 11.27 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.096 -1.003 . . . . 0.0 109.203 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 35.3 t0 -71.03 175.42 5.2 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.144 0.973 . . . . 0.0 111.242 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.497 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 51.9 t80 -64.04 -44.25 93.07 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.717 0.77 . . . . 0.0 109.201 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -59.41 -54.83 42.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.949 -1.094 . . . . 0.0 109.403 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.0 mt-10 -60.17 -42.23 94.52 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.814 -1.179 . . . . 0.0 108.783 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -46.4 -39.92 11.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.3 mmm -69.05 -28.87 66.93 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -61.97 -55.58 27.95 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.2 -40.06 61.01 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.89 -43.8 96.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 81' ' ' THR . 66.1 m -71.48 -47.69 53.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.893 . . . . 0.0 110.037 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.2 ttt -51.33 -40.47 59.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.427 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.4 -26.14 38.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' SER . 17.6 m -81.06 -49.92 10.29 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.523 0.678 . . . . 0.0 109.203 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 p -70.71 -16.72 62.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.387 -0.82 . . . . 0.0 110.145 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.04 94.36 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 108.7 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.4 m -88.81 77.46 7.8 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -60.29 -40.01 88.93 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.33 -0.856 . . . . 0.0 109.137 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.46 143.48 44.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.318 -0.864 . . . . 0.0 109.195 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -74.68 129.59 38.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.087 -1.008 . . . . 0.0 108.861 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' CE2' ' O ' ' A' ' 89' ' ' GLU . 64.5 t80 -60.64 134.29 56.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.917 . . . . 0.0 109.91 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.513 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 85.4 tt0 -82.43 133.77 35.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.452 -0.78 . . . . 0.0 109.164 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.6 139.17 41.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.066 -1.021 . . . . 0.0 109.3 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.191 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.24 -32.78 74.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.071 . . . . 0.0 110.185 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.09 -37.69 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.994 -1.066 . . . . 0.0 110.529 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' B' ' 4' ' ' GLU . 1.8 mp0 -64.07 -40.21 95.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.043 -1.036 . . . . 0.0 109.458 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.31 -39.96 88.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.965 -1.084 . . . . 0.0 109.42 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.372 -0.83 . . . . 0.0 109.559 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttm -60.0 -47.93 83.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.099 -1.001 . . . . 0.0 109.053 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.06 -37.48 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.55 -0.719 . . . . 0.0 109.235 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.11 80.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.75 -1.219 . . . . 0.0 109.488 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.94 -48.13 82.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.145 -0.972 . . . . 0.0 110.498 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.91 -51.2 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.904 -1.123 . . . . 0.0 110.171 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.07 -40.35 89.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.95 -41.72 79.5 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 109.889 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.0 -55.81 29.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.787 -1.196 . . . . 0.0 111.11 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -60.03 -40.01 87.84 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.211 -0.93 . . . . 0.0 111.527 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.82 -39.96 91.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.097 -1.627 . . . . 0.0 110.44 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -71.58 -42.37 67.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.326 -0.858 . . . . 0.0 110.102 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.43 ' OG ' HD11 ' B' ' 27' ' ' LEU . 51.5 m -73.12 -13.05 61.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.0 109.522 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.31 13.62 63.16 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -68.97 -39.79 79.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.835 -1.391 . . . . 0.0 109.272 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -96.7 1.83 51.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.452 -0.78 . . . . 0.0 109.659 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.81 -10.68 72.92 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -99.0 106.41 18.66 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.238 -1.154 . . . . 0.0 109.44 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 63.9 mttp -93.21 146.41 23.71 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.277 -0.889 . . . . 0.0 109.749 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.421 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 11.1 t-80 74.7 31.06 0.97 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.6 0.714 . . . . 0.0 109.952 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -158.55 101.16 1.67 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.49 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.8 mp -100.35 120.99 40.78 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.156 -0.965 . . . . 0.0 111.247 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -91.72 164.12 13.84 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -56.95 -38.98 73.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.266 -0.896 . . . . 0.0 109.723 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -60.68 -34.46 74.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -72.16 -30.55 65.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.02 -41.69 90.64 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.479 -0.763 . . . . 0.0 109.413 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -63.98 -45.08 90.65 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.204 -0.935 . . . . 0.0 110.244 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.49 -42.4 78.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 109.763 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.497 HD11 ' OE2' ' B' ' 39' ' ' GLU . 54.6 tp -59.88 -49.17 78.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.461 -0.774 . . . . 0.0 110.026 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.94 -47.83 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.837 . . . . 0.0 110.337 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.16 -41.65 93.24 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.949 -1.094 . . . . 0.0 111.029 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -72.12 -41.9 66.7 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.037 -1.039 . . . . 0.0 110.942 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.497 ' OE2' HD11 ' B' ' 35' ' ' LEU . 99.5 mt-10 -87.51 -75.03 0.42 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 111.291 -177.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.496 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.0 mp -82.23 120.78 25.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.954 -1.091 . . . . 0.0 110.628 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 63.1 p -131.2 -60.08 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -81.54 -10.97 59.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.162 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -98.87 -0.9 41.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.348 -0.845 . . . . 0.0 109.956 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.36 145.17 31.08 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.05 -1.031 . . . . 0.0 109.242 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 58.7 mp0 -70.12 142.01 52.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 0.0 108.87 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 52.9 mp0 -64.42 140.03 58.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.298 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.6 mt -100.4 120.56 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.338 -0.851 . . . . 0.0 109.507 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -96.48 -22.24 17.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.053 -1.029 . . . . 0.0 109.711 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -115.41 130.23 56.82 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.292 -0.88 . . . . 0.0 110.822 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' B' ' 53' ' ' VAL . 54.3 tt0 -60.9 -38.91 87.32 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.652 -0.655 . . . . 0.0 110.305 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -46.26 -32.6 3.17 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 -31.25 52.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.289 -0.882 . . . . 0.0 108.922 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' B' ' 50' ' ' GLN . 54.5 t -69.51 -41.34 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.423 -0.798 . . . . 0.0 108.922 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -61.95 -40.12 94.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.982 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.08 -40.12 90.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.153 -0.967 . . . . 0.0 108.845 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.27 -40.0 87.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.705 -0.622 . . . . 0.0 109.382 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 5.8 ttm -66.36 -44.26 83.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.328 -0.858 . . . . 0.0 110.043 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.29 -50.36 73.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.405 -0.809 . . . . 0.0 109.725 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.5 m -70.1 -40.24 75.06 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.645 0.736 . . . . 0.0 109.41 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.0 -40.0 75.55 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.674 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 65.3 t0 -65.77 110.59 2.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.259 -0.901 . . . . 0.0 110.344 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.28 -49.35 77.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.767 -0.583 . . . . 0.0 110.77 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 48.5 p-10 -94.56 -0.85 54.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.032 -1.042 . . . . 0.0 111.362 -178.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.74 28.56 71.83 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 119.545 -1.312 . . . . 0.0 110.283 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.505 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 39.6 p-10 -72.56 -1.08 14.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.878 -1.366 . . . . 0.0 109.71 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 26.58 66.51 Favored Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.886 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -158.84 159.51 35.14 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 22.3 t -113.22 103.24 11.14 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.968 -1.082 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 36.4 t0 -70.9 175.61 4.95 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 122.273 1.035 . . . . 0.0 111.104 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.519 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 52.6 t80 -64.33 -44.17 92.37 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.178 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.18 -55.0 40.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.035 -1.041 . . . . 0.0 109.346 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 75' ' ' ALA . 97.1 mt-10 -59.82 -42.67 94.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.811 -1.181 . . . . 0.0 108.92 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -46.35 -39.94 11.1 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 73.8 mmm -68.87 -29.23 67.49 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 0.0 108.577 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -62.08 -55.3 30.4 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.15 -40.06 60.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -43.79 96.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 81' ' ' THR . 70.9 m -71.05 -48.36 53.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.544 -0.723 . . . . 0.0 109.947 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ttt -51.0 -40.42 58.06 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.965 . . . . 0.0 109.586 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 78.0 t -65.75 -25.85 37.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.432 ' N ' ' O ' ' B' ' 78' ' ' SER . 15.7 m -81.39 -49.88 10.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -70.64 -16.98 62.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.1 94.93 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 108.681 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 68.0 m -88.48 77.03 8.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -60.11 -39.81 87.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.386 -0.821 . . . . 0.0 109.311 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.5 143.39 44.61 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.27 -0.894 . . . . 0.0 109.12 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -74.85 129.43 37.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.027 -1.046 . . . . 0.0 108.922 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.522 ' CE2' ' O ' ' B' ' 89' ' ' GLU . 64.4 t80 -60.49 134.11 56.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.162 -0.961 . . . . 0.0 109.945 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.522 ' O ' ' CE2' ' B' ' 88' ' ' PHE . 85.6 tt0 -82.3 133.71 35.25 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -75.79 139.32 41.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.043 -1.036 . . . . 0.0 109.322 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.182 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -59.97 -39.28 85.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.281 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -70.76 -36.13 72.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.859 -1.151 . . . . 0.0 109.419 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 85.8 tt0 -69.36 -40.06 77.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.034 -1.042 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.94 -39.86 86.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.578 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -60.01 -46.98 87.71 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.2 ttp -61.58 -50.54 72.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.404 -0.81 . . . . 0.0 109.555 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -40.11 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.01 90.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.286 -0.884 . . . . 0.0 109.694 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.93 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.93 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.092 . . . . 0.0 109.109 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.99 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.277 -0.89 . . . . 0.0 108.705 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.45 -40.07 83.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -63.45 -54.75 31.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.136 -0.977 . . . . 0.0 110.547 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.97 -41.19 91.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.15 -0.968 . . . . 0.0 111.755 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.28 -40.06 77.98 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.403 -1.436 . . . . 0.0 110.157 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -74.96 -45.82 39.7 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.484 -0.887 . . . . 0.0 110.275 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -70.37 -20.16 62.98 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 110.127 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.19 20.69 20.04 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -88.65 -55.81 3.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.273 . . . . 0.0 108.77 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -139.85 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.87 179.04 33.36 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -60.11 -54.47 45.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.239 . . . . 0.0 109.648 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -176.77 -66.63 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.437 -0.789 . . . . 0.0 110.008 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.626 ' CE1' ' NZ ' ' A' ' 26' ' ' LYS . 29.1 p-80 -109.51 25.04 12.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.109 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 25' ' ' HIS . 13.9 mptt -105.26 121.55 44.09 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -98.09 121.97 40.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.342 -0.849 . . . . 0.0 109.152 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -90.93 163.36 14.39 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.933 -1.104 . . . . 0.0 108.988 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.2 p -63.91 -40.04 95.56 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.03 -1.044 . . . . 0.0 108.561 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.03 -32.56 70.76 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.616 0.722 . . . . 0.0 109.189 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.98 -40.53 75.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.59 -0.694 . . . . 0.0 109.57 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -63.41 -40.08 96.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.364 -0.835 . . . . 0.0 109.988 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.8 -43.59 83.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 109.309 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.517 HD11 ' CD ' ' A' ' 39' ' ' GLU . 60.8 tp -59.93 -46.5 89.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.501 -0.749 . . . . 0.0 109.348 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.2 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.894 . . . . 0.0 109.737 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -39.96 94.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.126 -0.984 . . . . 0.0 110.304 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -78.88 -51.55 9.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.172 -0.955 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.517 ' CD ' HD11 ' A' ' 35' ' ' LEU . 97.2 mt-10 -86.04 -73.93 0.43 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.074 -1.016 . . . . 0.0 111.439 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 36' ' ' ILE . 5.4 mp -88.79 94.9 10.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.863 -1.148 . . . . 0.0 110.857 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 t -140.37 -36.06 0.49 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -73.55 -7.0 50.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.62 -0.675 . . . . 0.0 110.404 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CZ ' ' OE2' ' B' ' 4' ' ' GLU . 84.7 m-85 -113.9 -9.53 13.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.066 -1.021 . . . . 0.0 109.031 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.7 mp -107.31 174.67 5.78 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.836 0.827 . . . . 0.0 110.347 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -89.52 13.81 12.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.764 -0.585 . . . . 0.0 110.042 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.02 96.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.4 -0.812 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 93.3 mt -67.26 123.89 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.037 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -103.54 -24.77 13.39 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.599 -0.688 . . . . 0.0 109.938 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -100.55 136.48 40.36 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.207 -0.933 . . . . 0.0 110.273 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -68.75 -39.94 80.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.329 -0.857 . . . . 0.0 109.56 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.36 -31.95 55.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.82 . . . . 0.0 109.799 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.41 -33.88 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 108.816 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.99 -44.64 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.09 -49.94 75.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.681 -0.637 . . . . 0.0 109.896 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -59.92 -49.93 75.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.01 -40.96 89.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tpt -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.319 -0.863 . . . . 0.0 109.709 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.0 -41.99 93.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.142 -0.974 . . . . 0.0 108.915 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -66.57 -40.02 88.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.48 -0.762 . . . . 0.0 109.317 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -71.68 -41.16 69.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.618 -0.677 . . . . 0.0 109.905 -179.743 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.62 99.62 0.61 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.031 -1.043 . . . . 0.0 110.657 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.09 -39.9 90.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 108.947 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -86.41 -10.78 53.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.494 -0.754 . . . . 0.0 110.387 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.68 74.11 Favored Glycine 0 N--CA 1.492 2.42 0 C-N-CA 119.872 -1.156 . . . . 0.0 110.279 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 38.2 p-10 -72.54 -5.67 38.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.94 -1.329 . . . . 0.0 110.244 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.01 -9.18 40.01 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.748 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 14.6 pt-20 -137.95 164.5 28.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.933 -1.333 . . . . 0.0 107.784 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -109.81 107.71 17.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.847 -1.158 . . . . 0.0 110.095 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -72.88 -179.04 2.98 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.79 0.805 . . . . 0.0 110.487 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.06 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.349 0.595 . . . . 0.0 110.216 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.488 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 25.8 mp0 -58.64 -54.62 45.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.097 -1.002 . . . . 0.0 109.752 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -41.06 91.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.919 -1.113 . . . . 0.0 108.324 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -51.53 -39.95 58.71 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -65.9 -28.36 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.189 -0.945 . . . . 0.0 108.988 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.34 -53.65 33.76 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.17 -40.0 45.45 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -41.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 81' ' ' THR . 59.7 p -70.07 -48.19 58.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ttt -47.93 -40.57 22.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.37 -0.831 . . . . 0.0 109.427 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.92 -27.59 36.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' SER . 12.4 m -83.06 -47.21 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -69.02 -16.56 63.74 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.603 -0.686 . . . . 0.0 109.959 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.29 -64.66 1.05 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 108.62 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.2 m -77.42 68.87 3.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.671 -0.643 . . . . 0.0 109.621 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -60.11 -40.07 88.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.289 -0.882 . . . . 0.0 109.532 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -69.46 140.14 54.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 0.0 109.53 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 78.5 t80 -67.32 138.0 56.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.214 -0.929 . . . . 0.0 109.474 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 64.1 m-85 -61.61 141.74 57.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.261 -0.899 . . . . 0.0 109.779 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.12 139.81 57.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.262 -0.899 . . . . 0.0 109.571 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.366 -0.834 . . . . 0.0 109.979 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.851 -179.182 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 58.4 mp0 -59.95 -39.47 85.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.915 . . . . 0.0 110.308 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.58 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.0 OUTLIER -70.8 -36.03 72.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.946 -1.096 . . . . 0.0 109.413 179.557 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.489 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 86.3 tt0 -69.57 -39.92 77.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.993 -1.067 . . . . 0.0 110.236 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.07 -39.86 87.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.218 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.578 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -60.03 -46.88 88.04 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 37.9 ttp -61.85 -50.35 72.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.157 -0.964 . . . . 0.0 109.026 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.88 90.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.842 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.98 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.295 -0.878 . . . . 0.0 110.067 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.061 -1.025 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 108.654 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.55 -40.06 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -0.95 . . . . 0.0 109.158 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.53 -54.74 31.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.178 -0.951 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -60.06 -40.71 90.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.087 -1.008 . . . . 0.0 111.825 -177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.43 -39.92 77.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.367 -1.458 . . . . 0.0 110.162 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -75.37 -45.39 39.56 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 110.253 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -70.28 -20.52 63.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.218 -0.926 . . . . 0.0 110.084 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.99 20.62 19.45 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.74 -55.8 3.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.011 -1.288 . . . . 0.0 108.803 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -139.82 159.85 41.24 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.4 179.29 32.54 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' B' ' 23' ' ' ASP . 35.7 t0 -60.52 -54.85 40.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.212 -1.17 . . . . 0.0 109.494 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -176.25 -66.72 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 110.072 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.659 ' CE1' ' HZ2' ' B' ' 26' ' ' LYS . 27.2 p-80 -109.38 25.29 11.97 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.47 -0.768 . . . . 0.0 109.978 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.659 ' HZ2' ' CE1' ' B' ' 25' ' ' HIS . 13.6 mptt -105.23 121.48 43.94 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 91.8 mt -97.82 121.74 40.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.271 -0.893 . . . . 0.0 109.186 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -91.08 163.5 14.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -59.96 -40.02 87.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.957 -1.089 . . . . 0.0 109.066 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -63.64 -39.96 95.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.969 -1.082 . . . . 0.0 108.573 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.04 -32.7 70.95 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.627 0.727 . . . . 0.0 109.168 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.93 -40.68 75.38 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.619 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -63.37 -40.27 96.79 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.394 -0.816 . . . . 0.0 109.88 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -66.57 -43.77 84.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.105 -0.997 . . . . 0.0 109.396 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.519 HD11 ' CD ' ' B' ' 39' ' ' GLU . 62.1 tp -59.88 -47.07 87.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.437 -0.789 . . . . 0.0 109.143 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' B' ' 40' ' ' LEU . 93.1 mt -61.39 -44.18 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.186 -0.946 . . . . 0.0 109.767 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.44 -39.96 95.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 110.338 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -79.12 -51.65 9.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.519 ' CD ' HD11 ' B' ' 35' ' ' LEU . 98.1 mt-10 -85.84 -73.58 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.029 -1.044 . . . . 0.0 111.495 -177.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' B' ' 36' ' ' ILE . 5.3 mp -89.0 94.74 10.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -140.2 -36.24 0.49 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -73.32 -7.12 50.24 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.58 -0.7 . . . . 0.0 110.482 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 4' ' ' GLU . 83.5 m-85 -113.81 -9.83 13.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.077 -1.014 . . . . 0.0 108.963 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.488 ' N ' HD12 ' B' ' 44' ' ' LEU . 10.8 mp -106.99 174.73 5.76 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.86 0.838 . . . . 0.0 110.385 -178.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -89.46 13.72 13.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.849 -0.532 . . . . 0.0 109.968 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 57.03 96.24 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.578 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.45 123.96 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 110.022 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -103.76 -24.38 13.33 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.535 -0.728 . . . . 0.0 109.975 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -100.8 136.65 40.33 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.162 -0.961 . . . . 0.0 110.151 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -68.68 -40.06 80.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.824 . . . . 0.0 109.447 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.18 -32.16 54.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.448 -0.783 . . . . 0.0 109.744 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.38 -33.97 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 0.0 108.841 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.94 -44.75 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -59.96 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.521 -0.737 . . . . 0.0 109.996 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.96 -49.8 76.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 108.362 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.9 -40.97 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.619 -0.676 . . . . 0.0 109.295 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.5 tpt -60.02 -50.07 75.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 0.0 109.786 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 0.0 108.876 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -66.54 -40.05 88.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.464 -0.772 . . . . 0.0 109.342 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.577 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -71.24 -41.88 69.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.625 -0.672 . . . . 0.0 109.866 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -66.29 99.82 0.57 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.93 -1.106 . . . . 0.0 110.721 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.19 -39.62 89.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.954 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -86.63 -10.67 53.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.442 -0.786 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.91 24.36 74.34 Favored Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.809 -1.186 . . . . 0.0 110.174 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 38.4 p-10 -72.33 -5.92 39.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.966 -1.314 . . . . 0.0 110.351 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.27 -9.38 40.93 Favored Glycine 0 N--CA 1.494 2.522 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.732 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.435 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 14.6 pt-20 -137.93 164.47 28.93 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.054 -1.262 . . . . 0.0 107.869 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.4 t -109.82 107.7 17.76 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.856 -1.153 . . . . 0.0 110.015 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -72.74 -179.42 3.1 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.719 0.771 . . . . 0.0 110.455 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.05 -49.62 76.93 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.476 0.655 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.484 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 25.8 mp0 -58.58 -54.96 41.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.106 -0.996 . . . . 0.0 109.725 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.959 -1.088 . . . . 0.0 108.356 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 92.3 t80 -51.33 -39.93 58.0 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.781 -0.768 . . . . 0.0 108.968 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.4 tpt -65.79 -28.54 69.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.67 -53.27 35.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.263 -0.898 . . . . 0.0 108.683 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.04 -39.94 43.34 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.2 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.518 ' O ' ' N ' ' B' ' 81' ' ' THR . 60.0 p -69.97 -48.31 58.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.83 . . . . 0.0 109.398 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.3 ttt -48.13 -40.54 23.94 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.271 -0.893 . . . . 0.0 109.339 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -68.61 -27.77 37.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.518 ' N ' ' O ' ' B' ' 78' ' ' SER . 12.3 m -82.92 -47.5 11.73 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.759 0.79 . . . . 0.0 109.109 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -68.49 -16.78 64.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.714 -0.616 . . . . 0.0 109.976 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.46 -64.82 1.02 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.509 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.9 m -77.13 68.84 3.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.498 -0.751 . . . . 0.0 109.66 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.16 -39.93 88.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.311 -0.868 . . . . 0.0 109.656 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.59 140.38 53.77 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 109.5 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' B' ' 88' ' ' PHE . 80.7 t80 -67.41 138.05 56.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.159 -0.963 . . . . 0.0 109.475 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.503 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 62.8 m-85 -61.59 141.62 57.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.124 -0.985 . . . . 0.0 109.732 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.05 139.5 57.42 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -59.95 -40.07 87.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.346 -0.846 . . . . 0.0 110.063 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.784 -179.234 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -35.41 75.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.202 -0.936 . . . . 0.0 110.196 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.5 -33.27 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.814 -1.179 . . . . 0.0 109.813 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.21 -41.97 99.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 109.893 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.03 -39.91 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.3 -0.875 . . . . 0.0 110.004 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.52 85.46 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 67.1 mtt -59.91 -47.41 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.051 -1.031 . . . . 0.0 109.291 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -59.96 -40.07 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.613 -0.68 . . . . 0.0 110.97 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.3 93.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.64 -1.287 . . . . 0.0 110.503 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.98 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.884 -1.135 . . . . 0.0 109.539 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -59.99 -51.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.933 -1.105 . . . . 0.0 109.717 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -42.84 94.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 109.847 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.9 -42.03 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.13 -53.67 55.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.137 -0.977 . . . . 0.0 110.027 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.96 -43.67 94.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 112.077 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.72 -39.95 76.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.304 -1.498 . . . . 0.0 109.513 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CZ ' ' NH2' ' A' ' 20' ' ' ARG . 65.2 t80 -69.06 -46.22 68.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.528 -0.732 . . . . 0.0 109.17 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -76.12 -18.05 59.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.62 13.67 61.86 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.596 ' NH2' ' CZ ' ' A' ' 17' ' ' TYR . 85.3 mtm180 -72.15 -39.65 68.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.874 -1.368 . . . . 0.0 108.499 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.544 ' C ' ' H ' ' A' ' 23' ' ' ASP . 31.6 mp0 -108.92 161.55 15.04 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.38 37.17 0.12 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 21' ' ' GLU . 43.4 p-10 -125.75 92.32 3.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.36 -1.083 . . . . 0.0 108.86 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 99.0 mttt -100.09 122.76 43.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.169 -0.957 . . . . 0.0 111.253 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 5.3 t-80 87.94 28.91 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.132 0.492 . . . . 0.0 110.905 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -170.86 123.59 0.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.8 mt -109.75 142.74 40.55 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.797 0.808 . . . . 0.0 110.799 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -97.3 167.65 10.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -58.01 -39.61 78.73 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.783 -1.198 . . . . 0.0 109.524 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -59.96 -38.25 81.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.016 -1.053 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.04 -34.55 73.38 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.12 -42.43 76.07 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.716 -0.615 . . . . 0.0 109.407 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -66.96 -40.02 87.38 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.336 -0.853 . . . . 0.0 110.225 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' OE2' ' NH1' ' A' ' 20' ' ' ARG . 88.1 tt0 -59.98 -42.95 95.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.061 -1.024 . . . . 0.0 109.546 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.98 -43.05 91.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.8 mt -62.08 -42.68 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.105 -0.997 . . . . 0.0 109.347 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.09 -45.36 93.21 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 109.566 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -80.71 -42.96 21.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.549 -0.719 . . . . 0.0 110.803 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 36' ' ' ILE . 23.2 tp10 -113.61 164.85 13.14 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.381 -0.824 . . . . 0.0 110.294 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mp 61.31 21.35 11.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.364 -0.835 . . . . 0.0 110.371 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.7 m -64.03 -45.71 87.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 109.411 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -81.46 -24.12 37.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.219 -0.926 . . . . 0.0 110.115 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -98.54 0.03 44.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.72 134.05 7.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.908 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 42.5 mp0 -72.4 140.85 48.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.323 -0.861 . . . . 0.0 109.411 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.66 136.99 58.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.17 -0.956 . . . . 0.0 108.736 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.3 mt -107.02 119.98 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.42 -0.8 . . . . 0.0 109.284 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -96.32 -13.0 23.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 57.4 mp0 -99.59 118.8 36.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.087 -1.008 . . . . 0.0 109.705 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.04 -39.24 94.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.375 -0.828 . . . . 0.0 109.47 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -53.81 -35.37 61.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.505 -0.747 . . . . 0.0 109.605 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.2 -36.34 67.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.854 -1.154 . . . . 0.0 108.315 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.97 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -59.98 -40.39 88.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.73 -44.3 97.18 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.02 -1.05 . . . . 0.0 109.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.97 -41.88 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.315 -0.865 . . . . 0.0 109.542 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 ttt -60.16 -47.68 84.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.352 -0.842 . . . . 0.0 110.971 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.06 -41.05 91.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.945 -1.097 . . . . 0.0 109.095 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.01 95.18 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.577 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -72.41 -39.98 67.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.49 -0.757 . . . . 0.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.74 93.79 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.027 -1.046 . . . . 0.0 110.645 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 44.6 mp0 -59.98 -40.02 87.71 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.152 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -82.47 -15.52 52.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.935 . . . . 0.0 110.277 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.09 29.93 70.2 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -76.47 0.09 21.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.121 -1.223 . . . . 0.0 110.523 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.11 2.02 65.05 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.783 -1.198 . . . . 0.0 110.223 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -139.92 159.99 40.93 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -106.95 108.44 19.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.867 -1.146 . . . . 0.0 109.078 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -70.23 -178.73 1.75 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.288 -0.882 . . . . 0.0 110.173 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.98 -50.06 75.25 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.536 0.684 . . . . 0.0 109.584 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.41 -52.18 66.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 109.614 -177.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.02 -44.27 94.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.625 -1.297 . . . . 0.0 108.188 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -47.14 -42.66 19.81 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' VAL . 96.5 mmm -70.09 -39.98 75.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.94 -12.86 0.91 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.939 -1.1 . . . . 0.0 110.184 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -91.73 -30.28 16.35 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' MET . 54.6 t -66.33 -39.92 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.732 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.8 p -71.32 -50.49 31.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 110.159 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 ttt -54.26 -39.97 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.983 -1.073 . . . . 0.0 108.683 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.99 -33.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -62.62 -43.04 99.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.413 -0.804 . . . . 0.0 109.176 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -70.44 -51.98 25.5 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.143 -0.973 . . . . 0.0 108.705 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.43 -39.79 23.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.502 -0.749 . . . . 0.0 109.516 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.8 m -56.38 140.01 46.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.0 109.309 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -60.54 138.69 58.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.315 -0.865 . . . . 0.0 109.775 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -75.0 139.92 43.25 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.378 -0.826 . . . . 0.0 109.319 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 59.6 t80 50.0 70.14 0.53 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.169 -0.957 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 89' ' ' GLU . 64.0 t80 -62.53 140.05 58.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.231 -0.918 . . . . 0.0 109.028 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.532 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 19.6 pt-20 -80.17 149.94 30.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.08 -1.013 . . . . 0.0 110.058 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 89' ' ' GLU . 17.2 m80 53.95 100.03 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.234 -0.916 . . . . 0.0 109.374 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.299 -1.619 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.461 -179.8 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.05 -35.05 74.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.09 -33.21 74.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.802 -1.187 . . . . 0.0 109.649 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.94 -42.19 99.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 109.94 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.903 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.63 85.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.486 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 67.3 mtt -60.04 -47.25 86.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.105 -0.997 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.04 -40.03 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.575 -0.703 . . . . 0.0 111.049 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.96 94.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.675 -1.265 . . . . 0.0 110.632 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.03 -49.43 77.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.04 -1.038 . . . . 0.0 109.505 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -51.9 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.991 -1.068 . . . . 0.0 109.82 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.1 -42.76 95.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.73 -42.28 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 109.472 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.06 -53.73 54.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.058 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.92 -43.63 94.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.185 -0.947 . . . . 0.0 112.097 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -69.74 -40.01 76.41 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.32 -1.488 . . . . 0.0 109.358 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.594 ' CZ ' ' NH2' ' B' ' 20' ' ' ARG . 64.7 t80 -69.06 -46.2 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 109.287 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.0 t -76.07 -18.1 59.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.56 13.56 62.05 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.594 ' NH2' ' CZ ' ' B' ' 17' ' ' TYR . 84.7 mtm180 -72.08 -39.52 68.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.761 -1.435 . . . . 0.0 108.602 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' B' ' 23' ' ' ASP . 31.6 mp0 -108.99 161.57 15.03 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.58 37.4 0.13 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' B' ' 21' ' ' GLU . 43.8 p-10 -125.77 92.09 3.53 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -1.092 . . . . 0.0 108.895 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 99.2 mttt -99.91 123.03 43.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.152 -0.968 . . . . 0.0 111.297 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 5.3 t-80 87.86 28.77 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.091 0.472 . . . . 0.0 110.901 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -170.8 123.55 0.63 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.207 -0.933 . . . . 0.0 109.157 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -109.78 142.59 40.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.836 0.827 . . . . 0.0 110.883 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -97.15 167.6 10.95 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -57.97 -39.6 78.57 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.5 p -60.07 -38.18 82.09 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 108.769 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.0 -34.55 73.47 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.865 0.841 . . . . 0.0 108.731 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.24 -42.16 76.02 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -67.06 -40.0 86.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.167 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.53 ' OE2' ' NH1' ' B' ' 20' ' ' ARG . 87.8 tt0 -60.01 -43.06 95.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.039 -1.038 . . . . 0.0 109.535 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.93 -42.94 90.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.595 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' B' ' 39' ' ' GLU . 85.9 mt -62.15 -42.65 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 109.337 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -60.05 -45.36 93.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.817 -1.177 . . . . 0.0 109.466 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.74 -43.06 20.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.518 -0.739 . . . . 0.0 110.767 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' B' ' 36' ' ' ILE . 23.3 tp10 -113.48 165.01 12.9 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.399 -0.813 . . . . 0.0 110.327 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp 61.15 21.4 11.83 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.859 . . . . 0.0 110.397 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 62.2 m -64.01 -45.75 87.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.943 -1.098 . . . . 0.0 109.406 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -81.47 -24.33 36.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 110.027 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.38 0.02 44.56 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.276 -0.89 . . . . 0.0 110.099 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -159.63 134.05 7.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.06 -1.025 . . . . 0.0 108.897 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 42.6 mp0 -72.34 140.94 48.77 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.277 -0.89 . . . . 0.0 109.51 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.71 136.92 58.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.971 . . . . 0.0 108.721 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -106.88 120.05 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.532 -0.73 . . . . 0.0 109.3 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -96.36 -12.88 23.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.4 mp0 -99.86 118.74 36.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.217 -0.927 . . . . 0.0 109.66 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.15 -39.19 93.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 109.303 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -53.6 -35.53 60.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.38 -0.825 . . . . 0.0 109.666 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.01 -36.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.002 -1.061 . . . . 0.0 108.379 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.95 -40.05 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.683 -0.636 . . . . 0.0 109.285 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -59.92 -40.37 88.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.357 -0.839 . . . . 0.0 110.18 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.81 -44.42 96.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.036 -1.04 . . . . 0.0 108.974 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.99 -41.83 79.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.24 -0.913 . . . . 0.0 109.678 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.4 ttt -60.22 -47.61 85.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.986 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -41.1 91.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.921 -1.112 . . . . 0.0 109.149 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -62.43 -40.03 95.25 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.392 -0.817 . . . . 0.0 109.466 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.32 -40.5 67.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.57 94.45 0.99 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.67 -1.269 . . . . 0.0 110.688 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 44.0 mp0 -60.05 -40.02 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.093 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -82.53 -15.26 53.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.259 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.98 29.86 70.46 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -76.39 -0.08 21.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.205 -1.174 . . . . 0.0 110.517 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.26 2.12 66.19 Favored Glycine 0 N--CA 1.491 2.34 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.264 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -139.97 159.99 40.94 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 45.3 t -106.89 108.37 19.85 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.929 -1.107 . . . . 0.0 109.058 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -70.12 -178.81 1.74 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.274 -0.891 . . . . 0.0 110.148 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.06 -49.89 75.86 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.495 0.664 . . . . 0.0 109.67 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -59.48 -52.16 66.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 109.639 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.96 -44.31 94.51 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.684 -1.26 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -47.18 -42.57 20.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.44 ' O ' ' N ' ' B' ' 77' ' ' VAL . 97.2 mmm -70.02 -39.98 75.49 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.99 -12.88 0.93 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.947 -1.095 . . . . 0.0 110.202 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -91.86 -30.03 16.4 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' B' ' 74' ' ' MET . 54.6 t -66.4 -39.98 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.72 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 82.9 p -71.35 -50.39 32.79 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.024 -1.047 . . . . 0.0 110.2 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.7 ttt -54.26 -40.04 67.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.959 -1.088 . . . . 0.0 108.635 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 45.8 t -69.91 -33.45 55.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 0.0 109.16 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.6 p -70.48 -51.86 26.07 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.061 -1.024 . . . . 0.0 108.701 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.56 -39.81 24.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.772 . . . . 0.0 109.515 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.9 m -56.28 140.06 46.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.232 -0.918 . . . . 0.0 109.327 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -60.52 138.47 58.02 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.316 -0.865 . . . . 0.0 109.741 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -74.96 140.02 43.38 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.298 -0.876 . . . . 0.0 109.364 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 60.3 t80 50.07 69.97 0.55 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.539 ' CD2' ' O ' ' B' ' 89' ' ' GLU . 63.7 t80 -62.43 140.03 58.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 108.941 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 19.4 pt-20 -80.04 150.04 30.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.148 -0.97 . . . . 0.0 110.121 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' B' ' 89' ' ' GLU . 17.0 m80 53.67 100.07 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.194 -0.941 . . . . 0.0 109.386 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.298 -1.649 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.414 -179.783 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.256 0.55 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.04 -35.77 75.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.208 -0.933 . . . . 0.0 110.33 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.578 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -67.49 -33.23 74.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.706 -1.246 . . . . 0.0 109.861 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.13 -44.24 95.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.052 -1.03 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.82 -38.89 86.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.338 -0.851 . . . . 0.0 110.275 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.27 78.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.83 -45.0 75.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.973 -1.079 . . . . 0.0 109.728 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.13 -40.61 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.162 -0.961 . . . . 0.0 110.229 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.15 95.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.826 -1.171 . . . . 0.0 110.381 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.25 -45.91 91.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 110.152 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.22 -51.05 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.935 -1.103 . . . . 0.0 109.188 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.01 -41.48 92.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.847 . . . . 0.0 109.431 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.94 -41.51 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 109.432 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -63.72 -58.62 6.31 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 111.123 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -60.17 -40.24 89.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.998 -1.064 . . . . 0.0 111.774 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.13 -41.12 74.34 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.385 -1.447 . . . . 0.0 109.829 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.475 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 48.7 t80 -74.64 -41.33 60.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.413 -0.805 . . . . 0.0 109.602 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.0 m -70.05 -21.37 63.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.473 -0.767 . . . . 0.0 109.506 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 22.72 15.77 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 75.5 ttt-85 -71.21 -39.99 71.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.264 -1.139 . . . . 0.0 109.438 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' ASP . 78.8 mm-40 -108.05 160.01 16.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.537 -0.727 . . . . 0.0 109.644 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.76 -16.59 0.13 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 98.2 m-20 -85.98 107.43 17.75 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.006 -1.291 . . . . 0.0 109.41 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 88.7 tttt -100.22 125.92 46.45 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.391 -0.818 . . . . 0.0 110.408 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 4.4 t-80 77.86 41.58 0.13 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.487 0.661 . . . . 0.0 109.849 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 27' ' ' LEU . 33.5 tptt -160.96 120.15 2.59 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.5 mm? -97.64 113.43 25.17 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.155 -0.966 . . . . 0.0 110.061 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 32' ' ' LEU . 58.9 tttp -87.5 160.37 18.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.644 -0.66 . . . . 0.0 109.283 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -55.63 -49.96 71.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.252 -0.905 . . . . 0.0 109.641 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 t -61.02 -39.99 91.86 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.96 -1.088 . . . . 0.0 108.253 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -69.89 -31.47 69.29 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 28' ' ' LYS . 59.9 tp -69.98 -40.41 75.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.573 -0.705 . . . . 0.0 109.104 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -63.54 -39.81 95.38 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 110.342 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' OE2' ' NE ' ' A' ' 20' ' ' ARG . 88.2 tt0 -60.35 -44.97 95.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.109 -0.995 . . . . 0.0 110.442 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 6.5 tt -60.09 -49.66 76.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.336 -0.852 . . . . 0.0 110.778 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 40' ' ' LEU . 91.2 mt -60.42 -49.82 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.981 -1.074 . . . . 0.0 109.894 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.21 -40.71 94.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.42 -0.8 . . . . 0.0 111.227 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -85.16 -57.35 3.12 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.821 -1.174 . . . . 0.0 112.023 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -80.11 -70.2 0.54 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.834 -1.166 . . . . 0.0 111.564 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 36' ' ' ILE . 79.9 mt -91.37 86.08 5.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.866 -1.146 . . . . 0.0 110.622 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -136.35 -21.03 1.38 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.675 -0.641 . . . . 0.0 109.364 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.01 -14.72 62.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.235 -0.916 . . . . 0.0 110.305 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -104.19 -18.55 14.45 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.098 -1.001 . . . . 0.0 109.303 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.68 149.88 33.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -159.9 26.55 0.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.69 -1.72 58.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.191 -0.943 . . . . 0.0 110.23 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.8 mt -94.53 119.4 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -137.9 -28.15 0.89 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.529 -0.732 . . . . 0.0 109.286 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 47.0 tp10 -101.44 139.4 37.16 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.37 -0.831 . . . . 0.0 109.185 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.89 -40.13 87.71 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.93 -1.107 . . . . 0.0 109.605 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 16.1 tm-20 -50.28 -32.56 17.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.482 -0.761 . . . . 0.0 108.973 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.35 -37.17 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.899 . . . . 0.0 108.986 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.21 -41.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.484 -0.76 . . . . 0.0 109.087 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.19 -45.43 93.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.457 -0.777 . . . . 0.0 110.72 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.72 -44.94 95.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.1 t -69.25 -40.33 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.507 -0.746 . . . . 0.0 109.336 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.5 ttt -63.16 -41.86 99.33 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.48 -0.763 . . . . 0.0 110.025 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.29 -46.17 90.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 109.186 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -67.95 -39.9 83.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.408 -0.808 . . . . 0.0 108.87 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.81 -45.87 91.98 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.555 -0.716 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -68.29 104.59 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.59 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 tp10 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -92.26 -9.62 41.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.087 -1.008 . . . . 0.0 110.866 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.72 30.92 75.01 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -70.98 -3.41 19.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.138 -1.213 . . . . 0.0 110.521 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 -10.08 71.96 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 120.852 -1.155 . . . . 0.0 110.913 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -140.88 160.46 40.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.315 . . . . 0.0 108.168 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.7 m -104.75 111.58 24.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.923 -1.111 . . . . 0.0 109.747 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.01 -176.97 1.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.978 0.894 . . . . 0.0 110.602 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.63 -49.95 75.47 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.628 0.728 . . . . 0.0 109.85 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -58.85 -52.31 66.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 0.0 109.827 -177.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' ALA . 98.8 mt-10 -60.04 -43.2 95.49 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.706 -1.246 . . . . 0.0 108.129 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -50.08 -39.81 43.62 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.7 mmm -68.1 -28.36 67.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.382 -0.823 . . . . 0.0 109.164 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.77 -56.22 14.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.108 -0.995 . . . . 0.0 108.624 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -51.08 -40.09 57.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.33 -45.12 96.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 81' ' ' THR . 60.1 p -63.56 -44.35 94.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.269 -0.894 . . . . 0.0 109.379 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 83' ' ' ALA . 60.2 ttm -49.41 -42.51 42.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.937 . . . . 0.0 108.988 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.74 -31.14 51.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 78' ' ' SER . 35.8 m -78.31 -47.77 17.08 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 p -70.96 -14.75 62.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.443 -0.786 . . . . 0.0 109.377 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -62.41 -40.6 97.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.337 -0.852 . . . . 0.0 109.221 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.4 m -78.68 81.23 5.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.263 -0.898 . . . . 0.0 109.004 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.44 -39.94 89.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.886 . . . . 0.0 109.475 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 58.9 mp0 -65.06 140.1 58.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.213 -0.929 . . . . 0.0 109.903 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -64.34 130.36 43.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.179 -0.951 . . . . 0.0 109.461 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.455 -0.778 . . . . 0.0 109.641 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 40.95 -129.98 0.43 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.7 -0.625 . . . . 0.0 110.602 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -144.81 152.17 39.91 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.967 -1.083 . . . . 0.0 109.09 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--N 1.3 -1.552 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.298 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.71 -35.86 75.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.135 -0.978 . . . . 0.0 110.363 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.58 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.9 mm? -67.44 -32.85 73.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.588 -1.32 . . . . 0.0 109.796 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.46 -44.58 95.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 109.562 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -60.22 -39.44 86.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.733 . . . . 0.0 110.197 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.52 77.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.26 -0.9 . . . . 0.0 109.822 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.68 -44.74 77.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 109.978 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.53 -40.3 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.11 -0.994 . . . . 0.0 110.099 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.17 95.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 110.248 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.27 -46.2 90.65 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.1 -51.19 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.993 -1.067 . . . . 0.0 109.527 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.05 -40.88 90.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.333 -0.854 . . . . 0.0 109.427 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -41.58 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.204 -0.935 . . . . 0.0 109.507 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -64.19 -58.41 6.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.321 -0.862 . . . . 0.0 110.903 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -59.93 -40.13 87.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.0 -1.062 . . . . 0.0 111.76 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -70.12 -41.04 74.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.367 -1.458 . . . . 0.0 110.184 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.475 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 50.0 t80 -74.76 -41.85 59.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.692 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -70.01 -20.89 63.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.439 -0.788 . . . . 0.0 109.432 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.6 22.06 18.94 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' B' ' 34' ' ' GLU . 76.2 ttt-85 -70.96 -40.17 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -1.156 . . . . 0.0 109.482 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' B' ' 23' ' ' ASP . 78.6 mm-40 -107.96 159.92 16.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.477 -0.764 . . . . 0.0 109.564 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.65 -15.59 0.16 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' B' ' 21' ' ' GLU . 99.2 m-20 -86.05 107.26 17.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.079 -1.248 . . . . 0.0 109.209 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 88.2 tttt -100.08 125.72 46.2 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.239 -0.913 . . . . 0.0 110.566 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 4.7 t-80 77.75 41.69 0.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.539 0.685 . . . . 0.0 109.882 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.45 ' C ' HD22 ' B' ' 27' ' ' LEU . 33.3 tptt -160.89 120.22 2.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.556 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.4 mm? -97.31 113.82 25.51 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.101 -0.999 . . . . 0.0 110.051 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' B' ' 32' ' ' LEU . 58.5 tttp -87.8 160.36 18.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.643 -0.661 . . . . 0.0 109.453 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' B' ' 28' ' ' LYS . 74.0 tttt -55.83 -49.83 72.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 109.53 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.3 t -61.09 -39.69 90.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.945 -1.097 . . . . 0.0 108.343 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -70.02 -31.72 69.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.599 0.714 . . . . 0.0 109.077 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 28' ' ' LYS . 59.9 tp -70.08 -40.17 75.15 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -63.57 -40.23 96.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.07 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 20' ' ' ARG . 87.7 tt0 -59.97 -45.37 92.9 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.249 -0.907 . . . . 0.0 110.386 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.475 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 6.6 tt -59.96 -49.06 79.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.269 -0.894 . . . . 0.0 110.737 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' B' ' 40' ' ' LEU . 94.1 mt -61.05 -50.09 82.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.799 -1.188 . . . . 0.0 109.829 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.21 -40.12 92.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 111.265 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -85.61 -57.27 3.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.752 -1.218 . . . . 0.0 112.05 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.9 -70.27 0.53 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 111.594 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' B' ' 36' ' ' ILE . 82.0 mt -91.53 86.26 5.98 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.894 -1.129 . . . . 0.0 110.615 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.6 p -136.45 -21.47 1.34 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.88 -14.69 62.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.286 -0.884 . . . . 0.0 110.475 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.13 -17.4 14.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.123 -0.986 . . . . 0.0 109.308 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 pp -148.75 149.76 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.164 -0.96 . . . . 0.0 109.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -159.9 27.02 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -89.94 -1.86 58.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.296 -0.878 . . . . 0.0 110.285 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.7 mt -94.48 119.83 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.043 -1.036 . . . . 0.0 109.671 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -138.31 -27.64 0.87 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.483 -0.761 . . . . 0.0 109.291 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -101.67 139.15 37.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.409 -0.807 . . . . 0.0 109.063 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.02 -40.19 88.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.884 -1.135 . . . . 0.0 109.533 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -49.71 -32.53 13.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.489 -0.757 . . . . 0.0 109.026 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.29 -37.41 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.312 -0.867 . . . . 0.0 108.777 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.1 -41.34 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.413 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.44 -45.76 92.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.539 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.84 -45.71 93.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.965 -1.084 . . . . 0.0 108.948 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.63 -40.44 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.449 -0.782 . . . . 0.0 109.671 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.2 ttt -63.27 -41.76 99.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 110.04 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -60.13 -46.12 90.71 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 109.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -68.17 -39.82 82.44 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.25 -47.11 87.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.589 -0.695 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -67.55 104.79 1.66 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.949 . . . . 0.0 110.812 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -60.21 -43.85 95.63 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -91.8 -10.04 41.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.18 -0.95 . . . . 0.0 110.925 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 30.87 74.73 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 40.9 p-10 -70.54 -3.46 18.15 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.183 -1.186 . . . . 0.0 110.386 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.59 -10.18 70.73 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.967 -1.083 . . . . 0.0 111.008 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -140.31 160.65 39.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.934 -1.333 . . . . 0.0 108.199 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 69.8 m -104.77 111.71 24.54 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.738 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -71.2 -177.16 1.64 Allowed 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.985 0.897 . . . . 0.0 110.646 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.62 -49.87 75.79 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.465 0.65 . . . . 0.0 109.92 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.9 -52.34 66.15 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.813 -177.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.9 mt-10 -59.94 -43.14 95.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.635 -1.291 . . . . 0.0 108.153 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -50.23 -39.37 44.31 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.7 mmm -68.6 -28.5 66.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 109.223 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -64.69 -56.0 16.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.122 -0.986 . . . . 0.0 108.675 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -51.38 -40.01 58.33 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.42 -45.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 81' ' ' THR . 79.7 p -63.74 -43.81 95.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.405 ' O ' ' N ' ' B' ' 83' ' ' ALA . 60.3 ttm -49.4 -42.08 41.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 108.954 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.05 -31.11 51.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 78' ' ' SER . 30.8 m -78.51 -47.12 17.99 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.4 p -71.33 -14.77 62.31 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 0.0 109.238 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -62.84 -40.47 97.54 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.1 m -78.3 82.08 4.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.338 -0.851 . . . . 0.0 108.881 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -67.46 -40.13 85.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.217 -0.927 . . . . 0.0 109.219 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' B' ' 86' ' ' GLU . 58.1 mp0 -64.48 140.09 58.83 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.407 -0.808 . . . . 0.0 109.73 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -64.51 130.29 43.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 0.0 109.393 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.24 -39.89 88.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.405 -0.81 . . . . 0.0 109.624 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 41.11 -129.69 0.45 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.684 -0.635 . . . . 0.0 110.638 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -145.42 151.78 38.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.985 -1.072 . . . . 0.0 109.119 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 C--N 1.301 -1.538 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.464 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -38.25 81.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.382 -0.824 . . . . 0.0 110.593 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.33 -33.39 74.21 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.011 -1.056 . . . . 0.0 109.49 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.28 -40.46 93.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.95 -1.094 . . . . 0.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -39.9 87.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 109.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.6 94.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.292 -0.88 . . . . 0.0 109.177 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.5 ttm -62.73 -51.22 68.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.238 -0.914 . . . . 0.0 109.901 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.1 -40.7 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.576 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.91 93.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.906 -1.121 . . . . 0.0 109.471 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.01 -45.9 91.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.314 -0.867 . . . . 0.0 110.496 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -59.98 -47.81 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.751 -1.218 . . . . 0.0 108.872 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.27 -40.03 80.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.432 -0.792 . . . . 0.0 109.07 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.36 -41.27 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 0.0 109.88 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.05 -54.98 39.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.793 -1.192 . . . . 0.0 110.383 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.02 -40.55 89.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 112.497 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.86 -39.99 79.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.298 -1.501 . . . . 0.0 110.495 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.8 -41.33 62.51 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 110.072 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -80.06 -21.02 43.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.005 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.61 15.55 60.07 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -87.37 -54.91 4.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.006 -1.291 . . . . 0.0 109.225 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 65.3 mm-40 -150.21 160.09 43.94 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 -158.36 44.43 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.55 137.98 58.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.489 -1.006 . . . . 0.0 109.616 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.68 -40.01 80.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 111.01 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.71 -21.11 15.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.757 -1.214 . . . . 0.0 111.645 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -107.41 149.68 27.62 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.1 -1.0 . . . . 0.0 110.625 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 2.5 mm? -97.11 125.14 41.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.544 -0.723 . . . . 0.0 110.321 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -84.53 160.18 20.55 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' SER . 1.3 ptpm? -53.36 -42.17 66.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.647 -1.283 . . . . 0.0 109.845 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 91.2 p -64.04 -38.05 89.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 108.982 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 42.4 mt-10 -68.69 -39.74 80.38 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.886 0.85 . . . . 0.0 108.911 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 32' ' ' LEU . 5.8 tt -67.06 -44.84 79.11 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.33 -40.18 93.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 0.0 109.449 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 86.8 tt0 -60.09 -43.91 95.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.366 -0.834 . . . . 0.0 109.791 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 HD21 ' A' ' 38' ' ' ASN . 34.1 tp -59.94 -43.77 94.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.409 -0.807 . . . . 0.0 109.724 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' LEU . 84.2 mt -60.04 -49.08 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.088 -1.007 . . . . 0.0 110.229 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -60.35 -40.34 90.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.857 . . . . 0.0 111.151 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.708 HD22 ' N ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -91.43 -27.44 18.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.026 -1.046 . . . . 0.0 111.264 -178.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.708 ' N ' HD22 ' A' ' 38' ' ' ASN . 6.1 tp10 -89.99 -76.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.797 -1.189 . . . . 0.0 110.594 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 40' ' ' LEU . 9.7 mp -81.59 130.26 34.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 110.293 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 8.2 p -129.75 -58.05 1.1 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.553 -0.717 . . . . 0.0 109.464 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.566 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -85.5 -1.96 57.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.936 -1.103 . . . . 0.0 110.438 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -98.38 -1.62 41.12 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.126 -0.984 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.7 mt -143.35 150.06 38.62 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.272 -0.892 . . . . 0.0 108.815 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.42 -80.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.779 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -171.41 135.89 0.97 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.083 -1.011 . . . . 0.0 109.78 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mm -83.01 108.88 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 108.385 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -89.61 -74.71 0.47 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.225 -0.922 . . . . 0.0 110.17 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.67 144.24 25.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -68.68 -28.8 67.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.318 -0.864 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.31 -30.09 49.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.186 -0.946 . . . . 0.0 108.731 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -69.92 -35.2 63.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.16 -41.05 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.568 -0.708 . . . . 0.0 109.173 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 109.224 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.07 -46.67 88.78 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.94 -40.58 89.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.474 -0.766 . . . . 0.0 109.504 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 98.5 mtp -66.32 -41.93 88.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 110.218 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.154 -0.966 . . . . 0.0 109.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.9 m -69.38 -40.01 77.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.423 -0.798 . . . . 0.0 109.353 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.6 -40.81 72.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.687 . . . . 0.0 110.226 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 62.5 t0 -67.32 105.58 1.81 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.296 -0.877 . . . . 0.0 110.277 -178.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.07 -40.06 78.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.457 -0.777 . . . . 0.0 110.146 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 7.4 p-10 -90.1 -10.99 42.63 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.008 -1.057 . . . . 0.0 110.772 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.27 29.54 70.18 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.67 -1.252 . . . . 0.0 110.189 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 p-10 -76.28 -1.7 27.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.041 -1.27 . . . . 0.0 110.012 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.34 3.46 89.86 Favored Glycine 0 N--CA 1.494 2.539 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.843 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -138.62 159.45 42.08 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.145 -1.209 . . . . 0.0 108.136 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -97.97 104.86 16.93 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.866 -1.146 . . . . 0.0 108.759 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.06 169.86 7.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.928 0.87 . . . . 0.0 111.217 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.98 -47.26 86.55 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.528 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 26.4 mp0 -59.1 -55.23 37.67 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.54 -0.864 . . . . 0.0 108.753 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ALA . 96.7 mt-10 -59.99 -44.38 94.54 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.963 -1.086 . . . . 0.0 108.259 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.35 -38.28 18.84 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.55 -29.34 67.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 108.921 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -64.93 -55.23 20.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.66 -40.05 62.48 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.72 -45.06 98.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 81' ' ' THR . 87.2 p -66.59 -44.57 81.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.3 -0.875 . . . . 0.0 110.121 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 83' ' ' ALA . 67.9 mtt -50.28 -42.99 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.076 -1.015 . . . . 0.0 108.976 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.15 -30.46 47.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 78' ' ' SER . 34.0 m -83.15 -49.21 9.71 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 m -72.09 -19.96 61.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.859 -0.526 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -80.03 -69.91 0.56 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.977 -1.077 . . . . 0.0 109.56 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.6 m -60.16 139.9 57.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.323 -0.861 . . . . 0.0 109.002 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 86' ' ' GLU . 51.0 t-80 -54.85 175.73 0.05 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.057 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 99.2 mt-10 -63.97 124.45 21.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.096 -1.003 . . . . 0.0 108.773 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -93.73 100.48 12.69 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.084 -1.01 . . . . 0.0 109.136 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -70.07 161.88 29.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.247 -0.908 . . . . 0.0 109.662 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.64 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 1.7 pm0 -59.89 134.08 56.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.287 -0.883 . . . . 0.0 109.807 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -148.19 149.98 32.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 0.0 109.388 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.143 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.406 0.622 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.01 -37.85 80.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 110.465 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.52 -33.46 74.16 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.026 -1.047 . . . . 0.0 109.45 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.18 -40.35 94.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.155 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.02 -39.95 87.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.705 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.11 93.78 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.255 -0.903 . . . . 0.0 109.073 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.1 ttm -62.53 -51.2 68.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.13 -0.982 . . . . 0.0 110.04 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.02 -40.54 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.362 -0.836 . . . . 0.0 110.485 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.911 -1.118 . . . . 0.0 109.472 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -45.86 91.37 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.857 . . . . 0.0 110.45 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.03 -47.7 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.673 -1.267 . . . . 0.0 108.938 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.42 ' OD2' ' OE1' ' A' ' 89' ' ' GLU . 62.8 t0 -58.22 -40.1 80.8 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.049 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.58 -41.03 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 0.0 109.846 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.03 -55.09 38.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.685 -1.259 . . . . 0.0 110.317 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.05 -40.51 89.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 112.488 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -68.71 -40.05 80.16 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.306 -1.496 . . . . 0.0 110.629 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.99 -41.34 62.08 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.109 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -80.05 -21.05 43.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.93 -1.106 . . . . 0.0 111.01 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.54 15.63 59.76 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -87.5 -54.42 4.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.965 -1.315 . . . . 0.0 109.254 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 65.0 mm-40 -150.53 159.94 44.14 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.54 -158.54 45.4 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.96 138.22 58.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -1.054 . . . . 0.0 109.637 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -69.0 -39.93 79.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.348 -0.845 . . . . 0.0 110.871 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -100.76 -20.78 15.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.802 -1.186 . . . . 0.0 111.708 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.73 149.54 28.04 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.03 -1.044 . . . . 0.0 110.647 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 2.8 mm? -96.94 125.43 41.37 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.566 -0.709 . . . . 0.0 110.18 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.09 160.12 20.04 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' N ' ' B' ' 30' ' ' SER . 1.3 ptpm? -53.29 -42.38 66.53 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.634 -1.291 . . . . 0.0 109.847 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 96.0 p -63.8 -38.11 89.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.111 -0.993 . . . . 0.0 108.931 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' B' ' 21' ' ' GLU . 43.4 mt-10 -68.74 -39.7 80.19 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.912 0.863 . . . . 0.0 108.963 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.613 HD23 ' O ' ' B' ' 32' ' ' LEU . 5.9 tt -67.2 -44.2 80.18 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.349 0.595 . . . . 0.0 109.405 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -61.85 -40.25 94.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.312 -0.867 . . . . 0.0 109.408 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 87.0 tt0 -60.08 -43.76 95.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.455 -0.778 . . . . 0.0 109.796 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.465 HD12 HD21 ' B' ' 38' ' ' ASN . 32.4 tp -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.288 -0.883 . . . . 0.0 109.638 -178.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.94 -48.75 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 110.292 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.38 -40.58 91.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.362 -0.836 . . . . 0.0 111.202 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.688 HD22 ' N ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -91.35 -27.5 18.33 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.054 -1.029 . . . . 0.0 111.234 -178.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.688 ' N ' HD22 ' B' ' 38' ' ' ASN . 6.1 tp10 -90.02 -76.8 0.41 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.836 -1.165 . . . . 0.0 110.572 -178.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 40' ' ' LEU . 9.7 mp -81.68 130.41 35.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.237 -0.915 . . . . 0.0 110.184 -178.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 13.2 p -130.0 -57.76 1.09 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.52 -0.737 . . . . 0.0 109.43 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.563 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 0.0 OUTLIER -85.09 -2.24 57.77 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.912 -1.117 . . . . 0.0 110.393 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -98.26 -1.59 41.55 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.007 -1.058 . . . . 0.0 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.45 150.0 38.38 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.254 -0.904 . . . . 0.0 108.886 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.17 -80.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 109.86 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -171.08 136.19 1.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 109.814 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.36 108.78 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.86 -74.97 0.46 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 110.007 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.48 144.13 25.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.029 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.76 -28.53 66.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.267 -0.896 . . . . 0.0 109.189 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.48 -29.97 51.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.08 -1.012 . . . . 0.0 108.822 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.98 -35.05 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.13 -41.16 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.568 -0.708 . . . . 0.0 109.286 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.335 -0.853 . . . . 0.0 109.143 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.0 -46.8 88.28 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.96 -40.34 88.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.535 -0.728 . . . . 0.0 109.553 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 98.3 mtp -66.46 -42.04 88.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.325 -0.859 . . . . 0.0 110.113 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.75 -46.25 91.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 109.222 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -69.28 -40.01 78.03 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.34 -42.06 72.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.583 -0.698 . . . . 0.0 110.183 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 62.8 t0 -66.79 105.79 1.68 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.155 -0.966 . . . . 0.0 110.357 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.99 -39.95 79.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.286 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 7.6 p-10 -90.11 -10.92 42.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.093 -1.004 . . . . 0.0 110.796 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 70.19 29.32 70.5 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 119.66 -1.257 . . . . 0.0 110.251 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 34.5 p-10 -76.01 -2.24 29.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.0 -1.294 . . . . 0.0 109.935 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.0 4.75 89.7 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.278 -0.963 . . . . 0.0 110.823 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -139.07 159.29 42.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.135 -1.215 . . . . 0.0 107.929 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.2 t -97.84 104.87 16.93 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.825 -1.172 . . . . 0.0 108.684 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.37 170.32 7.53 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 122.007 0.908 . . . . 0.0 111.206 -178.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.96 -47.17 86.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.523 ' H ' ' CD ' ' B' ' 71' ' ' GLN . 26.5 mp0 -59.12 -55.3 36.81 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.815 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' B' ' 75' ' ' ALA . 98.1 mt-10 -60.0 -44.48 94.53 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -48.56 -37.89 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.9 tpt -68.98 -28.81 66.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.335 -0.853 . . . . 0.0 109.078 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -65.5 -54.83 22.73 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -52.96 -39.91 63.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.61 -45.1 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.405 ' O ' ' N ' ' B' ' 81' ' ' THR . 84.2 p -66.4 -44.76 82.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.324 -0.86 . . . . 0.0 110.048 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 83' ' ' ALA . 68.4 mtt -50.44 -42.99 54.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.149 -0.969 . . . . 0.0 108.989 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.18 -30.22 47.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' B' ' 78' ' ' SER . 36.3 m -83.15 -49.39 9.53 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -71.98 -20.02 61.79 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.781 -0.574 . . . . 0.0 110.821 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -79.93 -70.09 0.54 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.505 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 95.2 m -60.01 139.75 57.23 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 109.006 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.425 ' ND1' ' N ' ' B' ' 86' ' ' GLU . 51.7 t-80 -55.09 175.58 0.06 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.921 . . . . 0.0 109.001 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.425 ' N ' ' ND1' ' B' ' 85' ' ' HIS . 99.9 mt-10 -63.78 124.83 22.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.043 -1.036 . . . . 0.0 108.748 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -94.11 100.38 12.49 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.1 -1.0 . . . . 0.0 109.177 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.0 161.56 29.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 109.736 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.618 ' CD ' ' H ' ' B' ' 89' ' ' GLU . 1.7 pm0 -59.8 133.96 56.58 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.382 -0.823 . . . . 0.0 109.746 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -148.1 149.95 32.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.336 -0.853 . . . . 0.0 109.361 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.264 179.818 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.304 0.573 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.86 -37.63 79.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.41 -0.806 . . . . 0.0 110.412 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.98 -32.43 70.64 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.818 -1.176 . . . . 0.0 109.581 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -61.13 -41.94 97.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.01 -38.94 84.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.568 -0.708 . . . . 0.0 110.051 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.76 95.21 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.97 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.45 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 36.7 tpp -61.37 -50.02 74.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.498 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -40.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.505 -0.747 . . . . 0.0 110.265 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.4 92.32 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.873 -1.142 . . . . 0.0 109.173 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.87 -48.22 82.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 110.075 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.473 ' CG2' ' OE1' ' B' ' 86' ' ' GLU . 92.3 mt -59.94 -52.23 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.881 -1.137 . . . . 0.0 109.914 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.04 -39.9 87.52 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.13 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.01 -41.55 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.589 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.63 -56.71 15.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.971 -1.08 . . . . 0.0 110.343 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -42.94 95.27 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.563 -0.71 . . . . 0.0 112.16 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -70.04 -41.1 74.67 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.29 -1.506 . . . . 0.0 110.149 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.553 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.3 t80 -71.77 -48.69 44.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.52 -0.737 . . . . 0.0 109.656 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.6 p -70.22 -20.15 63.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.478 -0.763 . . . . 0.0 110.225 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.33 19.84 33.46 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -86.23 -51.38 6.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.846 -1.385 . . . . 0.0 108.979 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -140.81 148.17 40.17 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.27 179.76 20.6 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -62.01 -59.88 4.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.939 -1.33 . . . . 0.0 109.484 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -171.86 -64.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.103 -0.998 . . . . 0.0 111.103 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.407 ' ND1' ' C ' ' A' ' 25' ' ' HIS . 3.7 p80 -110.9 17.05 20.9 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.084 -1.01 . . . . 0.0 111.071 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -107.9 129.31 55.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.17 -0.956 . . . . 0.0 109.107 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.0 mt -102.42 127.35 49.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.379 -0.826 . . . . 0.0 109.87 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -95.35 167.1 11.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.471 -0.768 . . . . 0.0 109.091 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -56.72 -41.04 76.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.891 -1.131 . . . . 0.0 110.149 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.2 p -63.94 -35.05 79.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.909 -1.12 . . . . 0.0 108.812 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.97 -31.76 69.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.614 -0.679 . . . . 0.0 109.253 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.85 -40.49 75.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -0.8 . . . . 0.0 109.722 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.59 -40.13 93.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.266 -0.896 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.01 -46.21 90.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 109.932 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.553 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 62.9 tp -60.19 -46.33 90.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.572 -0.705 . . . . 0.0 109.846 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -61.16 -42.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.108 -0.995 . . . . 0.0 109.528 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -69.9 -39.93 75.91 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.889 -1.132 . . . . 0.0 111.015 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -76.1 -58.02 3.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.89 -1.131 . . . . 0.0 112.61 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' OE1' HD11 ' A' ' 35' ' ' LEU . 98.6 mt-10 -84.4 -95.98 0.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.854 -1.153 . . . . 0.0 112.927 -176.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 36' ' ' ILE . 80.5 mt -61.42 129.37 40.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.296 -0.877 . . . . 0.0 110.907 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -147.7 -49.8 0.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.154 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.83 -19.96 62.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.48 -0.763 . . . . 0.0 109.999 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -99.3 1.13 44.28 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.21 -0.931 . . . . 0.0 110.184 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.3 mt -133.01 151.43 52.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.302 -0.874 . . . . 0.0 109.407 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -77.08 144.7 38.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -63.9 139.52 58.78 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.977 -1.077 . . . . 0.0 109.146 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -97.94 121.07 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.526 -0.734 . . . . 0.0 109.569 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -103.26 -28.24 12.0 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.352 -0.843 . . . . 0.0 110.151 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 88.3 tt0 -121.45 134.14 55.08 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.268 -0.895 . . . . 0.0 110.394 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' VAL . 9.7 mp0 -60.6 -39.26 87.46 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 109.866 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 86.2 tt0 -45.93 -32.22 2.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.485 -0.759 . . . . 0.0 109.075 -179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.13 -32.9 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.353 -0.842 . . . . 0.0 108.785 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' GLN . 94.9 t -68.49 -41.04 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.541 -0.725 . . . . 0.0 109.218 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.74 . . . . 0.0 109.718 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.86 -42.17 98.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 108.788 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.9 -41.75 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.733 . . . . 0.0 110.308 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.5 mmm -62.66 -41.82 99.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.201 -0.937 . . . . 0.0 110.124 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.14 -43.96 95.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.192 -0.943 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.11 75.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.47 -0.769 . . . . 0.0 110.565 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 tp -70.6 -43.46 69.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.079 -1.013 . . . . 0.0 111.713 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -67.43 103.98 1.43 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.925 -1.11 . . . . 0.0 110.538 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.64 -40.06 95.92 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.461 -0.774 . . . . 0.0 110.157 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.93 59.42 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.918 -1.134 . . . . 0.0 110.611 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -79.92 -2.99 46.2 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.98 -1.306 . . . . 0.0 111.008 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 5.54 85.27 Favored Glycine 0 N--CA 1.497 2.735 0 O-C-N 120.761 -1.212 . . . . 0.0 111.347 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -139.87 161.05 38.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.923 -1.339 . . . . 0.0 107.981 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.23 108.25 19.2 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -75.54 -178.5 4.14 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.004 0.907 . . . . 0.0 110.81 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.71 -48.9 79.71 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.387 0.613 . . . . 0.0 110.159 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? -60.05 -56.54 20.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 109.988 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 75' ' ' ALA . 99.3 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.657 -1.277 . . . . 0.0 108.301 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -45.96 -40.78 10.8 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 75.9 mtp -70.43 -28.87 65.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' SER . . . -63.21 -59.94 4.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.838 -1.163 . . . . 0.0 109.056 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -49.62 -39.92 37.44 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.15 -40.07 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' ALA . 22.9 t -72.75 -50.18 26.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.455 -0.778 . . . . 0.0 110.86 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.6 ttp -53.98 -40.36 66.82 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.706 -1.246 . . . . 0.0 109.538 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -70.06 -27.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.302 -0.874 . . . . 0.0 108.66 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.447 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 38.8 m -68.84 -44.18 73.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.53 -0.731 . . . . 0.0 109.143 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.6 m -68.41 -54.14 19.1 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.89 -41.5 11.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 109.567 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.2 t -73.34 110.98 8.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -0.932 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -81.36 168.46 18.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 110.028 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HG3' ' H ' ' A' ' 88' ' ' PHE . 22.4 tp10 -57.91 133.18 55.23 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.624 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 50.8 p90 -100.9 -1.41 34.66 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.461 -0.774 . . . . 0.0 109.928 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.624 ' CE2' ' CZ ' ' A' ' 87' ' ' PHE . 49.0 m-85 -87.47 119.86 28.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.1 -1.0 . . . . 0.0 109.273 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 62.19 -5.07 0.18 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.677 -0.639 . . . . 0.0 109.755 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.522 ' H ' ' C ' ' A' ' 88' ' ' PHE . 59.7 m80 48.54 23.18 0.57 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.953 -1.092 . . . . 0.0 109.692 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--N 1.299 -1.62 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.044 179.249 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.382 0.61 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -37.49 79.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.415 -0.803 . . . . 0.0 110.45 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -70.05 -32.51 70.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.824 -1.173 . . . . 0.0 109.407 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.93 . . . . 0.0 109.421 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.2 -38.71 84.16 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.643 -0.661 . . . . 0.0 109.836 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.35 94.17 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 108.91 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.447 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 35.3 tpp -61.81 -49.99 74.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.938 . . . . 0.0 109.49 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.03 -40.04 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 110.139 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.435 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -59.89 -41.53 91.8 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.855 -1.153 . . . . 0.0 109.275 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.96 -48.49 81.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.312 -0.868 . . . . 0.0 110.029 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.454 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 84.7 mt -60.1 -51.87 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.85 -1.156 . . . . 0.0 109.87 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.99 -40.06 87.86 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 109.134 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 9' ' ' ALA . 59.2 t -70.01 -41.52 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.808 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.88 -56.7 14.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.026 -1.046 . . . . 0.0 110.349 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -60.03 -43.01 95.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.402 -0.811 . . . . 0.0 112.185 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -69.94 -40.93 75.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.275 -1.516 . . . . 0.0 110.314 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.549 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 58.4 t80 -72.16 -48.46 43.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.675 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.25 -20.29 63.08 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.763 . . . . 0.0 110.113 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.35 20.13 32.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -85.95 -51.39 6.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.859 -1.377 . . . . 0.0 109.124 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -141.05 148.23 39.89 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.56 179.48 20.51 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.0 -60.04 4.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.979 -1.307 . . . . 0.0 109.427 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -171.5 -64.91 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.025 -1.047 . . . . 0.0 111.202 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.405 ' ND1' ' C ' ' B' ' 25' ' ' HIS . 3.4 p80 -110.77 16.94 21.07 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.085 -1.009 . . . . 0.0 111.128 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -107.88 129.13 55.1 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.198 -0.939 . . . . 0.0 109.269 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -102.4 127.01 49.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.345 -0.847 . . . . 0.0 109.942 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -95.5 166.93 11.61 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.457 -0.777 . . . . 0.0 109.24 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -56.59 -41.07 76.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.002 -1.061 . . . . 0.0 110.178 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -63.79 -35.36 80.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.893 -1.129 . . . . 0.0 108.83 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.06 -31.52 69.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.86 -40.75 75.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 109.646 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -61.49 -40.28 93.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.238 -0.914 . . . . 0.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.84 -46.32 89.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.254 -0.904 . . . . 0.0 109.981 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.549 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.7 tp -60.47 -45.67 92.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.461 -0.775 . . . . 0.0 110.047 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 40' ' ' LEU . 96.7 mt -61.55 -42.47 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -69.74 -40.05 76.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.016 -1.053 . . . . 0.0 110.938 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -76.26 -57.9 3.6 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.954 -1.092 . . . . 0.0 112.602 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.491 ' OE1' HD11 ' B' ' 35' ' ' LEU . 99.3 mt-10 -84.43 -96.18 0.06 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.805 -1.184 . . . . 0.0 112.751 -176.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' B' ' 36' ' ' ILE . 76.8 mt -61.33 129.28 40.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.233 -0.917 . . . . 0.0 110.958 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -147.43 -49.75 0.18 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 0.0 109.101 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.74 -20.02 62.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.444 -0.785 . . . . 0.0 109.971 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -99.15 0.77 44.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.174 -0.954 . . . . 0.0 110.124 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 78.7 mt -132.35 151.16 51.97 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.353 -0.842 . . . . 0.0 109.476 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -77.01 144.59 38.57 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -63.86 139.7 58.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.976 -1.078 . . . . 0.0 109.173 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 94.0 mt -98.19 121.22 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.433 -0.792 . . . . 0.0 109.57 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -103.55 -28.35 11.8 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.374 -0.829 . . . . 0.0 110.213 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 86.9 tt0 -120.88 134.43 55.29 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.267 -0.895 . . . . 0.0 110.456 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' B' ' 53' ' ' VAL . 9.7 mp0 -61.13 -38.76 87.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.443 -0.786 . . . . 0.0 109.855 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.435 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 87.1 tt0 -46.1 -32.19 2.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.549 -0.72 . . . . 0.0 109.182 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.07 -32.89 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 108.854 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 50' ' ' GLN . 94.8 t -68.29 -41.19 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.222 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.14 -40.15 88.81 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.456 -0.778 . . . . 0.0 109.734 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.8 -42.38 98.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.63 -41.86 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.605 -0.684 . . . . 0.0 110.409 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 90.5 mmm -62.73 -42.02 99.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -0.9 . . . . 0.0 110.126 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.08 -43.95 95.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.304 -0.872 . . . . 0.0 108.657 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -69.99 -40.14 75.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.78 . . . . 0.0 110.722 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.7 tp -70.17 -44.7 68.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.177 -0.952 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -66.36 103.68 1.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.907 -1.121 . . . . 0.0 110.729 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.12 -40.36 97.39 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.404 -0.81 . . . . 0.0 108.836 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -89.19 -13.0 39.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.101 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.84 32.01 59.51 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 119.976 -1.107 . . . . 0.0 110.582 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -79.97 -2.93 46.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.968 -1.313 . . . . 0.0 111.02 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.57 5.29 85.91 Favored Glycine 0 N--CA 1.495 2.629 0 O-C-N 120.77 -1.206 . . . . 0.0 111.327 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -140.07 160.89 38.92 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.962 -1.316 . . . . 0.0 107.932 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 84.0 m -108.01 108.33 19.4 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.853 -1.154 . . . . 0.0 109.304 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -75.75 -178.48 4.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.908 0.861 . . . . 0.0 110.851 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.62 -48.86 79.92 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.416 0.627 . . . . 0.0 110.067 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -59.91 -56.66 19.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 110.076 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 75' ' ' ALA . 99.2 mt-10 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.72 -1.237 . . . . 0.0 108.281 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -45.83 -40.75 10.24 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.417 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 73.9 mtp -70.38 -29.28 65.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.325 -0.859 . . . . 0.0 109.589 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 78' ' ' SER . . . -63.15 -60.04 3.96 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.913 -1.117 . . . . 0.0 109.019 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -49.51 -40.05 36.39 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.02 -40.05 85.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.492 ' N ' ' O ' ' B' ' 75' ' ' ALA . 21.1 t -72.5 -50.32 26.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.483 -0.761 . . . . 0.0 110.92 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 50.6 ttp -54.34 -40.22 67.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.669 -1.269 . . . . 0.0 109.551 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.96 -27.83 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.45 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 33.4 m -68.89 -44.02 74.08 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.555 -0.716 . . . . 0.0 109.272 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -68.51 -53.96 19.86 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.78 -41.54 11.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.52 -0.738 . . . . 0.0 109.687 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 29.1 t -73.4 111.03 8.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.336 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -81.27 168.42 18.48 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.339 -0.851 . . . . 0.0 109.997 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.473 ' OE1' ' CG2' ' A' ' 11' ' ' ILE . 22.5 tp10 -57.71 133.42 55.33 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.619 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 51.2 p90 -101.15 -1.83 32.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.432 -0.793 . . . . 0.0 109.707 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CE2' ' CZ ' ' B' ' 87' ' ' PHE . 50.9 m-85 -87.08 119.88 27.76 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.046 -1.033 . . . . 0.0 109.324 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 62.33 -5.04 0.19 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.617 -0.677 . . . . 0.0 109.704 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' B' ' 88' ' ' PHE . 59.9 m80 48.33 23.29 0.55 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.975 -1.078 . . . . 0.0 109.747 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 . . . . . 0 C--N 1.3 -1.584 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.072 179.373 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.525 0.678 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -34.74 77.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.415 -0.803 . . . . 0.0 110.968 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.414 HD23 ' OE2' ' B' ' 39' ' ' GLU . 60.2 tp -70.09 -34.45 73.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.104 . . . . 0.0 109.316 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.71 -41.8 98.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.401 -0.812 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.39 -39.87 88.86 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.098 -1.001 . . . . 0.0 109.369 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.33 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.956 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.9 ttm -59.89 -50.53 73.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.381 -0.824 . . . . 0.0 109.169 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.2 t -57.89 -37.72 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.512 -0.742 . . . . 0.0 109.288 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.74 93.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.711 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.19 -48.36 82.06 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.115 -0.991 . . . . 0.0 110.803 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.36 -50.25 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.669 -1.269 . . . . 0.0 109.319 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -59.94 -42.93 95.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.307 -0.871 . . . . 0.0 109.209 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.71 -39.92 76.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.558 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.93 -57.94 5.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.076 . . . . 0.0 110.456 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -59.93 -40.29 88.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.961 . . . . 0.0 111.436 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -69.6 -39.87 76.99 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.267 -1.521 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.481 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 41.4 t80 -75.78 -46.38 31.02 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.325 -0.859 . . . . 0.0 110.35 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -73.1 -21.47 60.75 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.026 -1.046 . . . . 0.0 110.446 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.58 23.34 13.05 Favored Glycine 0 N--CA 1.496 2.654 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.624 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 mtm105 -83.53 -41.75 17.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.922 -1.34 . . . . 0.0 109.803 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.1 tt0 -176.74 151.79 0.93 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 91.8 64.68 1.14 Allowed Glycine 0 N--CA 1.499 2.9 0 C-N-CA 119.744 -1.217 . . . . 0.0 111.659 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' GLY . 94.4 m-20 54.96 100.16 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.144 -1.209 . . . . 0.0 109.481 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 8.3 mtpm? -53.74 137.66 37.24 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 109.226 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 8.4 t60 76.42 42.53 0.17 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.447 0.641 . . . . 0.0 109.937 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -161.09 123.99 3.21 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 27' ' ' LEU . 4.1 mm? -95.99 115.71 27.84 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.714 -1.241 . . . . 0.0 110.526 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.93 166.56 12.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.621 -0.674 . . . . 0.0 109.303 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -54.58 -40.0 68.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.23 -0.919 . . . . 0.0 110.376 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -68.14 -33.95 75.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.921 -1.112 . . . . 0.0 110.113 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 73.4 mt-10 -69.95 -30.23 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.62 -39.88 73.46 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.455 0.645 . . . . 0.0 109.909 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -63.97 -42.81 97.14 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.626 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.37 -45.4 72.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.159 -0.963 . . . . 0.0 109.574 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 41.7 tp -60.31 -49.98 75.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 109.385 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.43 -49.95 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.609 -0.682 . . . . 0.0 110.105 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.19 -40.8 97.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.534 -0.729 . . . . 0.0 110.539 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -85.3 -31.49 23.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.228 -0.92 . . . . 0.0 110.707 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' LEU . 38.6 tp10 -84.7 -76.45 0.31 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.303 -0.873 . . . . 0.0 111.198 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.59 129.85 39.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.004 -1.06 . . . . 0.0 109.596 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -117.54 -72.51 0.68 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.451 -0.78 . . . . 0.0 109.161 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.621 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 13.8 p80 -91.54 6.31 46.13 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.009 -1.057 . . . . 0.0 109.091 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.621 ' CZ ' ' CE1' ' A' ' 42' ' ' HIS . 66.2 m-85 -98.79 -3.12 36.32 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.435 HD13 ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -137.84 137.26 37.96 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.408 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' H ' HD13 ' A' ' 44' ' ' LEU . 85.7 tt0 -60.98 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.941 -1.099 . . . . 0.0 109.325 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -160.31 119.94 2.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.855 -1.153 . . . . 0.0 109.113 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.6 mt -97.64 118.79 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.227 -0.921 . . . . 0.0 109.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.21 -23.55 12.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.681 -0.637 . . . . 0.0 109.574 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -108.67 136.55 48.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.353 -0.842 . . . . 0.0 110.507 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.16 -31.05 69.44 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 109.526 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -57.17 -30.55 64.6 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.513 -0.742 . . . . 0.0 109.085 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.3 t -68.6 -34.01 62.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.5 t -69.74 -41.76 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.15 89.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.58 -50.07 75.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 108.804 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.8 -40.97 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.694 -0.629 . . . . 0.0 109.426 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.445 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 1.4 tpt -59.97 -43.17 95.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.428 -0.795 . . . . 0.0 110.266 -178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -60.49 -40.18 90.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.112 -0.993 . . . . 0.0 108.608 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -66.1 -39.97 90.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.488 -0.757 . . . . 0.0 109.422 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.2 -40.29 74.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.252 -0.905 . . . . 0.0 109.667 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 56.1 t0 -70.15 89.43 0.64 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 110.717 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.96 -25.1 63.47 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.218 -0.926 . . . . 0.0 108.876 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.49 -10.54 34.59 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.408 -0.807 . . . . 0.0 110.984 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 68.51 18.51 71.86 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 88.7 m-20 -68.11 -9.71 48.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.453 -1.028 . . . . 0.0 110.107 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 86.21 -17.69 36.47 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -129.8 164.97 22.93 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.322 -1.105 . . . . 0.0 109.145 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.445 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 82.4 m -103.52 109.33 20.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.147 -0.971 . . . . 0.0 109.583 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.2 t70 -69.8 177.14 3.2 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.998 0.904 . . . . 0.0 111.122 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.532 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 62.7 t80 -60.25 -48.55 81.28 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.7 -54.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 75' ' ' ALA . 41.1 mt-10 -60.02 -46.71 88.61 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.116 -0.99 . . . . 0.0 108.353 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -45.23 -38.82 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.7 tpp -67.68 -27.8 67.15 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.343 -0.848 . . . . 0.0 109.059 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -59.97 -57.5 12.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.223 -0.923 . . . . 0.0 108.623 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -55.54 -39.6 70.78 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.18 -44.91 96.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.7 p -66.72 -42.84 85.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.02 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.51 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.9 ttt -56.22 -42.53 77.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.193 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.52 -31.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.125 -0.984 . . . . 0.0 108.663 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.6 m -80.56 -48.62 12.46 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.794 0.807 . . . . 0.0 108.956 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -72.3 -17.57 61.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.679 -0.638 . . . . 0.0 110.264 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -76.06 -41.78 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.004 -1.06 . . . . 0.0 109.725 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 92.4 m -86.44 134.73 33.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.259 -0.901 . . . . 0.0 110.591 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -81.32 170.17 16.36 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -48.15 113.65 0.78 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.581 -1.325 . . . . 0.0 109.707 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -105.28 -21.08 13.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.424 -0.798 . . . . 0.0 110.741 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 33.1 p90 -80.33 104.0 10.58 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.888 -1.133 . . . . 0.0 109.994 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -108.48 124.98 51.27 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.209 -0.932 . . . . 0.0 108.968 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.724 ' CD2' ' H ' ' A' ' 91' ' ' GLU . 71.4 t60 52.67 -136.49 1.36 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 108.683 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.724 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 57.8 mm-40 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.315 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.391 0.615 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.67 -33.77 76.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.517 -0.739 . . . . 0.0 110.639 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 62.5 tp -70.11 -34.2 72.81 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.059 -1.025 . . . . 0.0 109.232 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.72 -42.24 98.68 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.898 . . . . 0.0 109.464 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.97 -40.13 88.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.241 -0.912 . . . . 0.0 109.19 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.59 73.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.9 ttm -60.59 -50.91 71.65 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.885 0.85 . . . . 0.0 109.424 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.69 -37.9 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.62 -0.675 . . . . 0.0 109.299 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.05 93.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.079 -1.013 . . . . 0.0 109.931 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.56 -48.4 81.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.266 -0.896 . . . . 0.0 110.414 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.1 mt -60.13 -50.28 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.854 -1.154 . . . . 0.0 109.743 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.07 -43.02 95.74 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.165 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.41 -39.94 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.479 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -66.96 -58.08 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.964 -1.085 . . . . 0.0 110.558 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -60.09 -39.99 88.07 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.199 -0.938 . . . . 0.0 111.585 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -69.62 -39.61 77.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.267 -1.52 . . . . 0.0 109.693 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.502 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 42.3 t80 -75.83 -46.89 28.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.203 -0.936 . . . . 0.0 110.39 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.3 t -72.76 -21.33 61.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.003 -1.061 . . . . 0.0 110.577 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.56 23.22 13.28 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 121.016 -1.053 . . . . 0.0 110.587 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtm105 -83.0 -41.89 18.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.957 -1.319 . . . . 0.0 109.947 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.1 tt0 -176.91 151.68 0.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.638 -0.664 . . . . 0.0 109.735 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 91.73 66.04 1.14 Allowed Glycine 0 N--CA 1.499 2.871 0 O-C-N 120.947 -1.096 . . . . 0.0 111.511 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 22' ' ' GLY . 94.4 m-20 54.09 101.56 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.173 . . . . 0.0 109.533 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 9.0 mtpm? -54.43 137.69 41.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.331 -0.855 . . . . 0.0 109.28 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 8.6 t60 76.01 43.95 0.15 Allowed 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.463 0.649 . . . . 0.0 109.659 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.409 ' C ' HD22 ' B' ' 27' ' ' LEU . 34.8 tptt -162.1 124.16 2.82 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.516 ' N ' HD22 ' B' ' 27' ' ' LEU . 3.9 mm? -96.45 114.73 26.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.194 . . . . 0.0 110.546 -178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.17 166.26 12.42 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -54.13 -40.03 67.02 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.205 -0.934 . . . . 0.0 110.473 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -68.2 -33.88 75.24 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.987 -1.07 . . . . 0.0 110.258 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 72.4 mt-10 -69.84 -30.36 67.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 108.769 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.12 -39.89 71.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.696 -0.627 . . . . 0.0 109.926 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -63.75 -41.67 97.96 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.356 -0.84 . . . . 0.0 109.586 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -45.1 69.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.207 -0.933 . . . . 0.0 109.493 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.502 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 45.9 tp -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.362 -0.837 . . . . 0.0 109.524 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -61.4 -50.16 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.487 -0.758 . . . . 0.0 110.343 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.04 -40.34 95.41 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.761 . . . . 0.0 110.621 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -84.68 -33.13 23.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.275 -0.891 . . . . 0.0 110.489 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 35' ' ' LEU . 36.8 tp10 -83.89 -77.04 0.27 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.427 -0.796 . . . . 0.0 111.421 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -70.89 128.93 37.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.864 -1.148 . . . . 0.0 109.747 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 78.5 p -116.32 -72.97 0.66 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.454 -0.779 . . . . 0.0 109.151 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.613 ' NE2' ' CE2' ' B' ' 43' ' ' PHE . 12.6 p80 -91.08 6.72 43.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.944 . . . . 0.0 109.332 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.613 ' CE2' ' NE2' ' B' ' 42' ' ' HIS . 66.3 m-85 -99.2 -2.63 36.25 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.87 137.44 38.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.07 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -160.01 119.84 2.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.008 -1.057 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.4 mt -97.87 118.09 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.116 -0.99 . . . . 0.0 109.447 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.69 -23.06 12.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.475 -0.766 . . . . 0.0 109.47 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.94 136.7 48.04 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.329 -0.857 . . . . 0.0 110.559 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -69.02 -31.59 70.5 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.612 0.72 . . . . 0.0 109.448 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -56.21 -30.9 62.94 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.571 -0.706 . . . . 0.0 109.195 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -68.92 -33.81 61.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.89 -41.74 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.53 -40.44 91.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 0.0 109.706 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -60.43 -49.93 75.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.194 -0.941 . . . . 0.0 108.597 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.62 -41.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.609 -0.682 . . . . 0.0 109.725 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.425 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 1.7 tpt -60.08 -42.51 94.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.318 -0.864 . . . . 0.0 110.187 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.5 -40.29 94.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.076 -1.015 . . . . 0.0 108.655 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -65.51 -39.8 92.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.51 -0.744 . . . . 0.0 109.476 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' B' ' 76' ' ' PHE . 6.8 mp -70.35 -41.38 73.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.469 -0.769 . . . . 0.0 109.614 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 55.6 t0 -69.26 89.75 0.48 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.093 -1.004 . . . . 0.0 110.72 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.0 -24.6 63.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 108.911 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.03 -10.06 34.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.33 -0.856 . . . . 0.0 110.929 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 68.87 17.49 71.49 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.513 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 87.6 m-20 -68.13 -9.2 44.76 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.332 -1.099 . . . . 0.0 110.083 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.465 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.99 -16.12 39.49 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -130.24 164.97 23.38 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.305 -1.115 . . . . 0.0 108.993 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 93.1 m -103.57 108.9 20.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.16 -0.962 . . . . 0.0 109.497 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.0 t70 -69.79 177.59 3.0 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.887 0.851 . . . . 0.0 111.112 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 63.0 t80 -60.25 -49.01 79.31 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.66 0.743 . . . . 0.0 109.063 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -59.57 -54.0 51.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.438 -0.789 . . . . 0.0 109.252 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' B' ' 75' ' ' ALA . 41.0 mt-10 -60.02 -46.68 88.7 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.052 -1.03 . . . . 0.0 108.384 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -45.03 -38.05 4.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 52.6 tpp -68.36 -27.93 66.69 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.381 -0.824 . . . . 0.0 109.166 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -60.04 -56.9 15.99 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.413 ' CD1' HD21 ' B' ' 60' ' ' LEU . 90.1 t80 -56.21 -39.49 72.55 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.34 -44.41 95.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.2 p -67.11 -43.12 83.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 110.055 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.508 ' O ' ' N ' ' B' ' 83' ' ' ALA . 28.0 ttt -56.47 -41.68 76.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.461 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.0 -31.35 49.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 121.15 -0.969 . . . . 0.0 108.456 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.5 m -80.65 -49.62 11.0 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.721 0.772 . . . . 0.0 108.99 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -71.65 -17.34 62.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.809 -0.557 . . . . 0.0 110.199 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.94 -42.57 48.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 93.2 m -85.54 133.72 34.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.447 -0.783 . . . . 0.0 110.941 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -80.73 169.34 17.73 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -47.47 114.19 0.84 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.577 -1.327 . . . . 0.0 109.578 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -105.67 -20.58 13.41 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.396 -0.815 . . . . 0.0 110.948 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.559 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 32.2 p90 -81.01 104.31 11.42 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.787 -1.195 . . . . 0.0 109.857 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -109.11 124.24 50.47 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.261 -0.899 . . . . 0.0 108.678 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.745 ' CD2' ' H ' ' B' ' 91' ' ' GLU . 71.4 t60 53.27 -136.57 1.34 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.0 108.715 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.745 ' H ' ' CD2' ' B' ' 90' ' ' HIS . 56.2 mm-40 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.234 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.95 -35.11 74.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.231 -0.918 . . . . 0.0 110.003 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.0 -32.78 71.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.915 -1.116 . . . . 0.0 110.718 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -62.61 -45.64 91.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.799 -1.188 . . . . 0.0 109.622 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -61.43 -38.05 85.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.312 -0.868 . . . . 0.0 110.685 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.17 -48.48 81.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.513 -178.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.4 -43.14 86.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.015 -1.053 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 109.866 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.014 -1.054 . . . . 0.0 110.118 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.19 -44.47 96.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.079 -1.013 . . . . 0.0 109.681 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.09 -51.31 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.798 -1.189 . . . . 0.0 109.772 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.99 -43.84 94.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.128 -0.982 . . . . 0.0 109.196 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.03 -39.92 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -0.795 . . . . 0.0 109.869 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -64.14 -59.94 3.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.502 ' NE2' ' OE2' ' B' ' 86' ' ' GLU . 73.8 m80 -61.31 -40.88 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.98 -1.075 . . . . 0.0 112.043 -177.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -70.1 -41.33 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.185 -1.572 . . . . 0.0 109.468 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 35' ' ' LEU . 59.7 t80 -73.07 -44.01 61.15 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.588 0.708 . . . . 0.0 109.232 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -73.11 -23.13 60.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.698 -0.626 . . . . 0.0 110.349 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.37 23.4 15.63 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mmm-85 -83.48 -44.19 14.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.973 -1.31 . . . . 0.0 108.746 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -148.83 156.0 41.72 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.331 -0.856 . . . . 0.0 109.712 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.89 -171.7 55.15 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -80.32 150.27 29.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -1.049 . . . . 0.0 109.608 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 68.1 mttm -74.1 136.29 42.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.31 -0.869 . . . . 0.0 109.987 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 27.1 t-80 93.73 -15.29 0.12 Allowed 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 123.135 0.574 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.52 116.31 31.55 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.235 -0.916 . . . . 0.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -94.78 120.07 34.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.11 -0.994 . . . . 0.0 109.443 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -91.04 163.22 14.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.566 -0.708 . . . . 0.0 109.312 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.0 -44.89 83.22 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.076 -1.015 . . . . 0.0 110.268 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 t -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.853 -1.155 . . . . 0.0 108.705 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.14 -36.08 79.12 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -69.99 -41.21 74.71 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.906 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.9 -40.0 96.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.253 -0.904 . . . . 0.0 109.536 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.95 -43.54 94.96 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.839 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.525 ' N ' ' OH ' ' A' ' 17' ' ' TYR . 64.0 tp -59.93 -41.69 92.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 0.0 109.765 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.66 -40.1 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.0 109.698 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -80.03 -19.84 46.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.544 -0.723 . . . . 0.0 110.754 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -57.89 -56.95 15.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 111.616 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.99 -6.16 0.68 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.649 -1.282 . . . . 0.0 110.278 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -90.74 123.02 33.99 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.93 -1.106 . . . . 0.0 109.171 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -159.64 -28.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.249 -0.907 . . . . 0.0 110.087 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -68.92 -24.43 64.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.136 -0.977 . . . . 0.0 109.493 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -99.38 -17.37 18.03 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.393 -0.817 . . . . 0.0 109.85 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.0 mt -140.22 110.82 6.76 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 46' ' ' GLU . 86.0 tt0 -109.83 -29.04 8.48 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.409 -0.807 . . . . 0.0 109.442 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' GLU . 78.4 mm-40 -61.03 -129.68 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.351 -0.843 . . . . 0.0 109.717 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.2 mt 49.02 63.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.072 -1.018 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -103.77 -16.39 15.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.268 -0.895 . . . . 0.0 109.159 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 84.0 tt0 -123.12 144.93 49.0 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -59.97 -35.42 74.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.042 -1.036 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 86.7 tt0 -54.34 -30.27 50.94 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.032 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.31 -33.71 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.0 108.722 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.48 -42.42 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.37 -0.831 . . . . 0.0 108.854 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 48.0 t0 -60.05 -42.67 94.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.015 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.72 -42.63 97.64 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.15 -0.969 . . . . 0.0 108.659 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.24 -39.93 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.489 -0.757 . . . . 0.0 109.103 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 96.0 mmm -65.25 -40.7 94.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.752 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -61.0 -48.02 83.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.178 -0.951 . . . . 0.0 109.53 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -68.86 -40.19 79.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.2 tp -72.12 -40.08 68.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.487 -0.758 . . . . 0.0 110.015 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' MET . 45.3 t0 -80.73 54.63 2.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 110.746 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.26 -38.91 84.97 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 2.9 p-10 -59.65 -34.77 73.25 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.957 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . 87.79 87.88 1.13 Allowed Glycine 0 N--CA 1.488 2.118 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 82.2 m-20 -147.17 -30.08 0.35 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.558 -0.966 . . . . 0.0 110.855 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.42 -13.78 61.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -137.35 160.5 38.9 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 t -100.78 107.14 18.64 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.762 -1.212 . . . . 0.0 109.437 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 173.01 4.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 111.111 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.07 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.49 HE21 ' CG2' ' B' ' 82' ' ' THR . 26.2 mp0 -58.38 -52.82 64.01 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.757 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 75' ' ' ALA . 82.1 mt-10 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 63.2 t80 -47.25 -39.2 13.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -69.72 -25.78 64.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.306 -0.871 . . . . 0.0 108.816 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -66.3 -56.4 11.34 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.04 -39.18 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 73' ' ' PHE . 54.8 t -60.06 -45.48 95.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -65.9 -42.13 90.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.487 -0.758 . . . . 0.0 109.602 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 83' ' ' ALA . 64.9 mmm -55.72 -41.24 73.58 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.742 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.6 m -84.45 -49.95 8.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.625 0.726 . . . . 0.0 109.437 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.508 ' CG2' HE21 ' B' ' 71' ' ' GLN . 4.2 m -70.89 -19.15 62.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.668 -0.645 . . . . 0.0 110.091 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -75.53 -40.64 56.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.12 -0.987 . . . . 0.0 109.474 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 76.4 m -71.17 129.09 38.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.835 . . . . 0.0 109.953 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -80.01 168.25 19.42 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.372 -0.83 . . . . 0.0 108.82 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.533 ' OE2' ' NE2' ' B' ' 15' ' ' HIS . 99.4 mt-10 -68.04 108.68 3.17 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.995 -1.066 . . . . 0.0 109.61 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -95.49 -12.8 25.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.269 -0.894 . . . . 0.0 109.178 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -89.95 9.09 29.13 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.346 -0.846 . . . . 0.0 109.297 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 90' ' ' HIS . 49.3 tp10 -93.67 -19.17 21.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.828 . . . . 0.0 108.848 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' A' ' 89' ' ' GLU . 93.5 m-70 46.53 98.39 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.421 -0.8 . . . . 0.0 110.518 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.484 179.623 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.89 -35.03 74.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 0.0 109.864 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.02 -32.78 71.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.852 -1.155 . . . . 0.0 110.689 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -62.62 -45.87 90.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.812 -1.18 . . . . 0.0 109.564 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.97 -38.11 84.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.266 -0.896 . . . . 0.0 110.82 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.92 -48.87 79.95 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.572 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.21 -43.14 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.065 -1.022 . . . . 0.0 110.175 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.08 -40.03 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.95 87.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.031 -1.043 . . . . 0.0 110.222 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.19 -44.36 96.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.033 -1.042 . . . . 0.0 109.664 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.92 -51.45 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.751 -1.218 . . . . 0.0 109.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.98 -43.67 94.97 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.195 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.16 -39.93 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 0.0 109.873 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -64.48 -59.91 3.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.349 -0.845 . . . . 0.0 110.775 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.533 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 73.4 m80 -61.19 -40.95 95.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 112.035 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -70.27 -40.89 74.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.197 -1.564 . . . . 0.0 109.544 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' B' ' 35' ' ' LEU . 61.2 t80 -73.22 -43.97 60.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.633 0.73 . . . . 0.0 109.275 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.6 t -73.18 -23.17 60.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.69 -0.632 . . . . 0.0 110.328 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.23 23.38 15.18 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -83.37 -44.17 15.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.954 -1.321 . . . . 0.0 108.824 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -148.86 156.01 41.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.334 -0.853 . . . . 0.0 109.595 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.86 -171.85 55.18 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.27 150.53 29.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -1.05 . . . . 0.0 109.591 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 68.4 mttm -74.4 136.8 42.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 0.0 109.882 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.534 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 24.9 t-80 93.7 -15.35 0.12 Allowed 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 123.111 0.564 . . . . 0.0 110.581 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.71 116.28 31.42 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.924 . . . . 0.0 109.775 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 3.8 mm? -94.67 120.18 34.48 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.157 -0.965 . . . . 0.0 109.381 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -90.98 163.43 14.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.622 -0.674 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.01 -44.9 83.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.091 -1.005 . . . . 0.0 110.362 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.2 t -60.64 -40.01 90.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.902 -1.124 . . . . 0.0 108.825 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.02 -36.28 79.67 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.94 -41.2 74.88 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.891 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.77 -40.0 95.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.672 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -43.49 95.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.432 -0.792 . . . . 0.0 109.741 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.53 ' N ' ' OH ' ' B' ' 17' ' ' TYR . 63.5 tp -59.99 -41.91 93.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.628 -179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.35 -40.23 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.21 -0.931 . . . . 0.0 109.747 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.94 -19.89 46.94 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.464 -0.772 . . . . 0.0 110.72 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.07 -56.89 16.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.116 -0.99 . . . . 0.0 111.515 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -144.76 -6.33 0.69 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.74 -1.225 . . . . 0.0 110.461 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.6 tp -90.81 123.18 34.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.955 -1.09 . . . . 0.0 109.21 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 14.9 t -159.48 -29.21 0.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.291 -0.881 . . . . 0.0 110.204 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -68.73 -24.34 64.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.068 -1.02 . . . . 0.0 109.501 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -99.5 -17.4 17.92 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.809 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 86.2 mt -140.26 110.82 6.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.234 -0.916 . . . . 0.0 109.066 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 46' ' ' GLU . 85.8 tt0 -109.85 -29.09 8.45 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.328 -0.858 . . . . 0.0 109.477 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 45' ' ' GLU . 78.1 mm-40 -60.97 -129.4 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.345 -0.847 . . . . 0.0 109.686 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mt 48.95 63.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -103.84 -16.22 15.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.208 -0.932 . . . . 0.0 109.144 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 83.7 tt0 -123.14 144.75 49.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.95 -35.11 74.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.963 -1.086 . . . . 0.0 109.176 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 86.7 tt0 -54.74 -30.26 55.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.305 -0.872 . . . . 0.0 108.91 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.44 -33.56 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 108.667 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.75 -42.07 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.386 -0.821 . . . . 0.0 108.856 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 48.8 t0 -60.08 -42.87 95.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.48 -0.763 . . . . 0.0 109.971 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.61 -42.81 97.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.14 -0.975 . . . . 0.0 108.526 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.93 -40.0 83.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.532 -0.73 . . . . 0.0 109.071 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.3 mmm -65.23 -40.94 94.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.426 -0.796 . . . . 0.0 109.739 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -60.81 -47.89 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.15 -0.969 . . . . 0.0 109.552 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.09 -40.33 78.46 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.77 -40.74 69.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.567 -0.708 . . . . 0.0 109.844 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -80.35 54.86 2.1 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.22 -38.59 83.84 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' B' ' 72' ' ' GLU . 2.9 p-10 -59.8 -34.77 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.928 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.441 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . 87.79 87.78 1.13 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 82.7 m-20 -146.89 -30.41 0.35 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.455 -1.027 . . . . 0.0 110.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.86 -13.99 61.46 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -137.19 160.98 37.44 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.19 107.23 18.57 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.873 -1.142 . . . . 0.0 109.372 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.79 173.15 4.58 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.367 -0.833 . . . . 0.0 111.146 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.06 -49.95 75.63 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.445 0.64 . . . . 0.0 109.374 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.508 HE21 ' CG2' ' A' ' 82' ' ' THR . 26.3 mp0 -58.4 -52.76 64.26 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.356 -0.937 . . . . 0.0 108.778 -179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 75' ' ' ALA . 84.5 mt-10 -60.07 -46.58 89.09 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -47.17 -39.39 13.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -69.81 -25.58 63.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 108.898 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 72' ' ' GLU . . . -66.73 -55.74 13.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.44 -39.14 67.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.0 -45.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -65.98 -42.14 90.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.591 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 83' ' ' ALA . 66.1 mmm -55.87 -41.05 73.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 108.746 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.12 -30.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -84.38 -49.95 8.24 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.622 0.725 . . . . 0.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.49 ' CG2' HE21 ' A' ' 71' ' ' GLN . 4.5 m -71.11 -19.25 62.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -75.16 -41.07 58.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.449 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 88.7 m -70.86 128.88 37.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 110.016 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.1 168.09 19.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 0.0 108.831 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.502 ' OE2' ' NE2' ' A' ' 15' ' ' HIS . 99.4 mt-10 -67.8 108.75 3.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.982 -1.074 . . . . 0.0 109.571 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -95.59 -12.81 25.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.244 -0.91 . . . . 0.0 109.181 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -89.85 8.88 29.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -0.876 . . . . 0.0 109.242 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' B' ' 90' ' ' HIS . 49.1 tp10 -93.6 -19.08 21.51 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.39 -0.819 . . . . 0.0 108.929 179.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' B' ' 89' ' ' GLU . 93.9 m-70 46.71 98.26 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.454 -0.779 . . . . 0.0 110.539 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.472 179.545 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_